2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane

C131H92BrCl3F4N18O21S15 — CID 158243725

IUPAC2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane
SMILESC.Cc1ccc(-c2scc(NC(=O)c3cc4c(C)nn(C)c4s3)c2C(=O)O)cc1.Cc1ccc(-c2scc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2scc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1cn(C)c2sc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)cc12.Cc1nn(C)c2sc(C(=O)Nc3csc(-c4ccc(Br)cc4)c3C(=O)O)cc12.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccsc2n1.O=C(O)c1c(NC(=O)c2csc3cnsc23)csc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO3S2.C20H17N3O3S2.C19H14BrN3O3S2.2C18H11F2N3O3S2.C17H10ClN3O3S2.C17H9ClN2O3S3.CH4/c1-11-9-23(2)20-15(11)8-17(28-20)16(24)7-13-10-27-19(18(13)21(25)26)12-3-5-14(22)6-4-12;1-10-4-6-12(7-5-10)17-16(20(25)26)14(9-27-17)21-18(24)15-8-13-11(2)22-23(3)19(13)28-15;1-9-12-7-14(28-18(12)23(2)22-9)17(24)21-13-8-27-16(15(13)19(25)26)10-3-5-11(20)6-4-10;2*1-8-2-3-9(14(20)13(8)19)15-12(17(25)26)11(7-28-15)21-16(24)10-6-23-4-5-27-18(23)22-10;18-10-3-1-9(2-4-10)14-13(16(23)24)12(8-26-14)19-15(22)11-7-21-5-6-25-17(21)20-11;18-9-3-1-8(2-4-9)14-13(17(22)23)11(7-25-14)20-16(21)10-6-24-12-5-19-26-15(10)12;/h3-6,8-10H,7H2,1-2H3,(H,25,26);4-9H,1-3H3,(H,21,24)(H,25,26);3-8H,1-2H3,(H,21,24)(H,25,26);2*2-7H,1H3,(H,21,24)(H,25,26);1-8H,(H,19,22)(H,23,24);1-7H,(H,20,21)(H,22,23);1H4
InChIKeyGFWDZMVYAVVFMI-UHFFFAOYSA-N
MW2997.54 g/mol
LogP36.75
Rot. Bonds29

About 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane

2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane (PubChem CID 158243725) has the molecular formula C131H92BrCl3F4N18O21S15 and a molecular weight of 2997.54 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane
PubChem CID158243725
Molecular FormulaC131H92BrCl3F4N18O21S15
Molecular Weight2997.54 g/mol
Exact Mass2992.07
IUPAC Name2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane
SMILESC.Cc1ccc(-c2scc(NC(=O)c3cc4c(C)nn(C)c4s3)c2C(=O)O)cc1.Cc1ccc(-c2scc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2scc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1cn(C)c2sc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)cc12.Cc1nn(C)c2sc(C(=O)Nc3csc(-c4ccc(Br)cc4)c3C(=O)O)cc12.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccsc2n1.O=C(O)c1c(NC(=O)c2csc3cnsc23)csc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClNO3S2.C20H17N3O3S2.C19H14BrN3O3S2.2C18H11F2N3O3S2.C17H10ClN3O3S2.C17H9ClN2O3S3.CH4/c1-11-9-23(2)20-15(11)8-17(28-20)16(24)7-13-10-27-19(18(13)21(25)26)12-3-5-14(22)6-4-12;1-10-4-6-12(7-5-10)17-16(20(25)26)14(9-27-17)21-18(24)15-8-13-11(2)22-23(3)19(13)28-15;1-9-12-7-14(28-18(12)23(2)22-9)17(24)21-13-8-27-16(15(13)19(25)26)10-3-5-11(20)6-4-10;2*1-8-2-3-9(14(20)13(8)19)15-12(17(25)26)11(7-28-15)21-16(24)10-6-23-4-5-27-18(23)22-10;18-10-3-1-9(2-4-10)14-13(16(23)24)12(8-26-14)19-15(22)11-7-21-5-6-25-17(21)20-11;18-9-3-1-8(2-4-9)14-13(17(22)23)11(7-25-14)20-16(21)10-6-24-12-5-19-26-15(10)12;/h3-6,8-10H,7H2,1-2H3,(H,25,26);4-9H,1-3H3,(H,21,24)(H,25,26);3-8H,1-2H3,(H,21,24)(H,25,26);2*2-7H,1H3,(H,21,24)(H,25,26);1-8H,(H,19,22)(H,23,24);1-7H,(H,20,21)(H,22,23);1H4
InChIKeyGFWDZMVYAVVFMI-UHFFFAOYSA-N
XLogP36.75
TPSA558.13 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds29
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002997.54
LogP ≤ 536.75
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane with MolForge

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Related Compounds

2-(4-Chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 123195373
4-(4-Chlorophenyl)-2-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-[(4,6-dimethylthieno[2,3-b]pyrrole-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 158547283
2-(4-Bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid
CID 159703852
2-(4-Chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid
CID 160802656
4-(4-Chlorophenyl)-2-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 160972939
4-(4-Bromophenyl)-2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 4-(4-bromophenyl)-2-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;4-(4-chlorophenyl)-2-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid
CID 161798567
4-(4-Bromophenyl)-2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(4-(2,3-difluoro-4-methylphenyl)-2-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);2-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 161924087

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane?
The IUPAC name of 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane (CID 158243725) is 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane.
What is the SMILES notation for 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane?
The canonical SMILES for 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane is C.Cc1ccc(-c2scc(NC(=O)c3cc4c(C)nn(C)c4s3)c2C(=O)O)cc1.Cc1ccc(-c2scc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1ccc(-c2scc(NC(=O)c3cn4ccsc4n3)c2C(=O)O)c(F)c1F.Cc1cn(C)c2sc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)cc12.Cc1nn(C)c2sc(C(=O)Nc3csc(-c4ccc(Br)cc4)c3C(=O)O)cc12.O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccsc2n1.O=C(O)c1c(NC(=O)c2csc3cnsc23)csc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane?
The InChIKey is GFWDZMVYAVVFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO3S2.C20H17N3O3S2.C19H14BrN3O3S2.2C18H11F2N3O3S2.C17H10ClN3O3S2.C17H9ClN2O3S3.CH4/c1-11-9-23(2)20-15(11)8-17(28-20)16(24)7-13-10-27-19(18(13)21(25)26)12-3-5-14(22)6-4-12;1-10-4-6-12(7-5-10)17-16(20(25)26)14(9-27-17)21-18(24)15-8-13-11(2)22-23(3)19(13)28-15;1-9-12-7-14(28-18(12)23(2)22-9)17(24)21-13-8-27-16(15(13)19(25)26)10-3-5-11(20)6-4-10;2*1-8-2-3-9(14(20)13(8)19)15-12(17(25)26)11(7-28-15)21-16(24)10-6-23-4-5-27-18(23)22-10;18-10-3-1-9(2-4-10)14-13(16(23)24)12(8-26-14)19-15(22)11-7-21-5-6-25-17(21)20-11;18-9-3-1-8(2-4-9)14-13(17(22)23)11(7-25-14)20-16(21)10-6-24-12-5-19-26-15(10)12;/h3-6,8-10H,7H2,1-2H3,(H,25,26);4-9H,1-3H3,(H,21,24)(H,25,26);3-8H,1-2H3,(H,21,24)(H,25,26);2*2-7H,1H3,(H,21,24)(H,25,26);1-8H,(H,19,22)(H,23,24);1-7H,(H,20,21)(H,22,23);1H4.
What are the key properties of 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane?
2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane has a molecular weight of 2997.54 g/mol, XLogP of 36.75, 29 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(4,6-dimethylthieno[2,3-b]pyrrol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-(thieno[2,3-d][1,2]thiazole-6-carbonylamino)thiophene-3-carboxylic acid;bis(2-(2,3-difluoro-4-methylphenyl)-4-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)thiophene-3-carboxylic acid);4-[(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)amino]-2-(4-methylphenyl)thiophene-3-carboxylic acid;methane is sourced from PubChem (CID 158243725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).