N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C156H149F3N42O13S9 — CID 158524932

IUPACN-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(Nc2ccncn2)nc1C(=O)NCc1ccccc1.CCCCCC(=O)c1ccc(CNC(=O)c2csc(Nc3ccncn3)n2)cc1.CN(C)C(=O)c1ccc(CNC(=O)c2csc(Nc3ccncn3)n2)cc1.COc1cc(Nc2nc(C(=O)NCc3ccccc3)cs2)ncn1.COc1ccc(CCNC(=O)c2csc(Nc3ccncn3)n2)cc1.Cc1ccc(CNC(=O)c2csc(Cc3ccncn3)n2)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1csc(Nc2ccncn2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncc2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncn2)n1
InChIInChI=1S/C21H23N5O2S.C18H18N6O2S.C18H19N5OS.C17H17N5O2S.C17H16N4OS.C17H15N3OS.C16H12F3N5OS.C16H15N5O2S.C16H14N4OS/c1-2-3-4-5-18(27)16-8-6-15(7-9-16)12-23-20(28)17-13-29-21(25-17)26-19-10-11-22-14-24-19;1-24(2)17(26)13-5-3-12(4-6-13)9-20-16(25)14-10-27-18(22-14)23-15-7-8-19-11-21-15;1-12(2)16-15(17(24)20-10-13-6-4-3-5-7-13)23-18(25-16)22-14-8-9-19-11-21-14;1-24-13-4-2-12(3-5-13)6-9-19-16(23)14-10-25-17(21-14)22-15-7-8-18-11-20-15;1-12-2-4-13(5-3-12)9-19-17(22)15-10-23-16(21-15)8-14-6-7-18-11-20-14;21-17(19-11-14-4-2-1-3-5-14)15-12-22-16(20-15)10-13-6-8-18-9-7-13;17-16(18,19)11-3-1-2-10(6-11)7-21-14(25)12-8-26-15(23-12)24-13-4-5-20-9-22-13;1-23-14-7-13(18-10-19-14)21-16-20-12(9-24-16)15(22)17-8-11-5-3-2-4-6-11;21-16(18-9-12-4-2-1-3-5-12)14-10-22-15(20-14)8-13-6-7-17-11-19-13/h6-11,13-14H,2-5,12H2,1H3,(H,23,28)(H,22,24,25,26);3-8,10-11H,9H2,1-2H3,(H,20,25)(H,19,21,22,23);3-9,11-12H,10H2,1-2H3,(H,20,24)(H,19,21,22,23);2-5,7-8,10-11H,6,9H2,1H3,(H,19,23)(H,18,20,21,22);2-7,10-11H,8-9H2,1H3,(H,19,22);1-9,12H,10-11H2,(H,19,21);1-6,8-9H,7H2,(H,21,25)(H,20,22,23,24);2-7,9-10H,8H2,1H3,(H,17,22)(H,18,19,20,21);1-7,10-11H,8-9H2,(H,18,21)
InChIKeyHMRFKWYBGDRYDY-UHFFFAOYSA-N
MW3165.79 g/mol
LogP27.58
Rot. Bonds55

About N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 158524932) has the molecular formula C156H149F3N42O13S9 and a molecular weight of 3165.79 g/mol. Its IUPAC name is N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID158524932
Molecular FormulaC156H149F3N42O13S9
Molecular Weight3165.79 g/mol
Exact Mass3162.97
IUPAC NameN-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(Nc2ccncn2)nc1C(=O)NCc1ccccc1.CCCCCC(=O)c1ccc(CNC(=O)c2csc(Nc3ccncn3)n2)cc1.CN(C)C(=O)c1ccc(CNC(=O)c2csc(Nc3ccncn3)n2)cc1.COc1cc(Nc2nc(C(=O)NCc3ccccc3)cs2)ncn1.COc1ccc(CCNC(=O)c2csc(Nc3ccncn3)n2)cc1.Cc1ccc(CNC(=O)c2csc(Cc3ccncn3)n2)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1csc(Nc2ccncn2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncc2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncn2)n1
InChIInChI=1S/C21H23N5O2S.C18H18N6O2S.C18H19N5OS.C17H17N5O2S.C17H16N4OS.C17H15N3OS.C16H12F3N5OS.C16H15N5O2S.C16H14N4OS/c1-2-3-4-5-18(27)16-8-6-15(7-9-16)12-23-20(28)17-13-29-21(25-17)26-19-10-11-22-14-24-19;1-24(2)17(26)13-5-3-12(4-6-13)9-20-16(25)14-10-27-18(22-14)23-15-7-8-19-11-21-15;1-12(2)16-15(17(24)20-10-13-6-4-3-5-7-13)23-18(25-16)22-14-8-9-19-11-21-14;1-24-13-4-2-12(3-5-13)6-9-19-16(23)14-10-25-17(21-14)22-15-7-8-18-11-20-15;1-12-2-4-13(5-3-12)9-19-17(22)15-10-23-16(21-15)8-14-6-7-18-11-20-14;21-17(19-11-14-4-2-1-3-5-14)15-12-22-16(20-15)10-13-6-8-18-9-7-13;17-16(18,19)11-3-1-2-10(6-11)7-21-14(25)12-8-26-15(23-12)24-13-4-5-20-9-22-13;1-23-14-7-13(18-10-19-14)21-16-20-12(9-24-16)15(22)17-8-11-5-3-2-4-6-11;21-16(18-9-12-4-2-1-3-5-12)14-10-22-15(20-14)8-13-6-7-17-11-19-13/h6-11,13-14H,2-5,12H2,1H3,(H,23,28)(H,22,24,25,26);3-8,10-11H,9H2,1-2H3,(H,20,25)(H,19,21,22,23);3-9,11-12H,10H2,1-2H3,(H,20,24)(H,19,21,22,23);2-5,7-8,10-11H,6,9H2,1H3,(H,19,23)(H,18,20,21,22);2-7,10-11H,8-9H2,1H3,(H,19,22);1-9,12H,10-11H2,(H,19,21);1-6,8-9H,7H2,(H,21,25)(H,20,22,23,24);2-7,9-10H,8H2,1H3,(H,17,22)(H,18,19,20,21);1-7,10-11H,8-9H2,(H,18,21)
InChIKeyHMRFKWYBGDRYDY-UHFFFAOYSA-N
XLogP27.58
TPSA725.06 Ų
H-Bond Donors15
H-Bond Acceptors54
Rotatable Bonds55
Heavy Atoms223
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003165.79
LogP ≤ 527.58
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 158524932) is N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is CC(C)c1sc(Nc2ccncn2)nc1C(=O)NCc1ccccc1.CCCCCC(=O)c1ccc(CNC(=O)c2csc(Nc3ccncn3)n2)cc1.CN(C)C(=O)c1ccc(CNC(=O)c2csc(Nc3ccncn3)n2)cc1.COc1cc(Nc2nc(C(=O)NCc3ccccc3)cs2)ncn1.COc1ccc(CCNC(=O)c2csc(Nc3ccncn3)n2)cc1.Cc1ccc(CNC(=O)c2csc(Cc3ccncn3)n2)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1csc(Nc2ccncn2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncc2)n1.O=C(NCc1ccccc1)c1csc(Cc2ccncn2)n1.
What is the InChIKey of N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HMRFKWYBGDRYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S.C18H18N6O2S.C18H19N5OS.C17H17N5O2S.C17H16N4OS.C17H15N3OS.C16H12F3N5OS.C16H15N5O2S.C16H14N4OS/c1-2-3-4-5-18(27)16-8-6-15(7-9-16)12-23-20(28)17-13-29-21(25-17)26-19-10-11-22-14-24-19;1-24(2)17(26)13-5-3-12(4-6-13)9-20-16(25)14-10-27-18(22-14)23-15-7-8-19-11-21-15;1-12(2)16-15(17(24)20-10-13-6-4-3-5-7-13)23-18(25-16)22-14-8-9-19-11-21-14;1-24-13-4-2-12(3-5-13)6-9-19-16(23)14-10-25-17(21-14)22-15-7-8-18-11-20-15;1-12-2-4-13(5-3-12)9-19-17(22)15-10-23-16(21-15)8-14-6-7-18-11-20-14;21-17(19-11-14-4-2-1-3-5-14)15-12-22-16(20-15)10-13-6-8-18-9-7-13;17-16(18,19)11-3-1-2-10(6-11)7-21-14(25)12-8-26-15(23-12)24-13-4-5-20-9-22-13;1-23-14-7-13(18-10-19-14)21-16-20-12(9-24-16)15(22)17-8-11-5-3-2-4-6-11;21-16(18-9-12-4-2-1-3-5-12)14-10-22-15(20-14)8-13-6-7-17-11-19-13/h6-11,13-14H,2-5,12H2,1H3,(H,23,28)(H,22,24,25,26);3-8,10-11H,9H2,1-2H3,(H,20,25)(H,19,21,22,23);3-9,11-12H,10H2,1-2H3,(H,20,24)(H,19,21,22,23);2-5,7-8,10-11H,6,9H2,1H3,(H,19,23)(H,18,20,21,22);2-7,10-11H,8-9H2,1H3,(H,19,22);1-9,12H,10-11H2,(H,19,21);1-6,8-9H,7H2,(H,21,25)(H,20,22,23,24);2-7,9-10H,8H2,1H3,(H,17,22)(H,18,19,20,21);1-7,10-11H,8-9H2,(H,18,21).
What are the key properties of N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 3165.79 g/mol, XLogP of 27.58, 55 rotatable bonds, 15 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(6-methoxypyrimidin-4-yl)amino]-1,3-thiazole-4-carboxamide;N-benzyl-5-propan-2-yl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-benzyl-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-hexanoylphenyl)methyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide;N-[(4-methylphenyl)methyl]-2-(pyrimidin-4-ylmethyl)-1,3-thiazole-4-carboxamide;2-(pyrimidin-4-ylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158524932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).