N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride

C93H96BrCl2N19O16S4 — CID 159524215

IUPACN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride
SMILESCc1ccc(CC(=O)OC(C)(C)C)cc1N.Cc1ccc(CC(=O)OC(C)(C)C)cc1[N+](=O)[O-].Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccnc(Br)c2)cc1NC(=O)c1cc2nccnc2s1.Cl.Cl.O=C(O)c1cc2nccnc2s1
InChIInChI=1S/C20H14BrN5O2S.C19H20N4O3S.C14H12N4OS.C13H17NO4.C13H19NO2.C7H4N2O2S.C7H8N2O2.2ClH/c1-11-2-3-13(25-18(27)12-4-5-23-17(21)8-12)9-14(11)26-19(28)16-10-15-20(29-16)24-7-6-22-15;1-11-5-6-12(22-18(25)26-19(2,3)4)9-13(11)23-16(24)15-10-14-17(27-15)21-8-7-20-14;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-9-5-6-10(7-11(9)14(16)17)8-12(15)18-13(2,3)4;1-9-5-6-10(7-11(9)14)8-12(15)16-13(2,3)4;10-7(11)5-3-4-6(12-5)9-2-1-8-4;1-5-2-3-6(8)4-7(5)9(10)11;;/h2-10H,1H3,(H,25,27)(H,26,28);5-10H,1-4H3,(H,22,25)(H,23,24);2-7H,15H2,1H3,(H,18,19);5-7H,8H2,1-4H3;5-7H,8,14H2,1-4H3;1-3H,(H,10,11);2-4H,8H2,1H3;2*1H
InChIKeyRAUQOWGCKBMBNF-UHFFFAOYSA-N
MW2014.99 g/mol
LogP21.06
Rot. Bonds16

About N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride

N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride (PubChem CID 159524215) has the molecular formula C93H96BrCl2N19O16S4 and a molecular weight of 2014.99 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride
PubChem CID159524215
Molecular FormulaC93H96BrCl2N19O16S4
Molecular Weight2014.99 g/mol
Exact Mass2011.47
IUPAC NameN-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride
SMILESCc1ccc(CC(=O)OC(C)(C)C)cc1N.Cc1ccc(CC(=O)OC(C)(C)C)cc1[N+](=O)[O-].Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccnc(Br)c2)cc1NC(=O)c1cc2nccnc2s1.Cl.Cl.O=C(O)c1cc2nccnc2s1
InChIInChI=1S/C20H14BrN5O2S.C19H20N4O3S.C14H12N4OS.C13H17NO4.C13H19NO2.C7H4N2O2S.C7H8N2O2.2ClH/c1-11-2-3-13(25-18(27)12-4-5-23-17(21)8-12)9-14(11)26-19(28)16-10-15-20(29-16)24-7-6-22-15;1-11-5-6-12(22-18(25)26-19(2,3)4)9-13(11)23-16(24)15-10-14-17(27-15)21-8-7-20-14;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-9-5-6-10(7-11(9)14(16)17)8-12(15)18-13(2,3)4;1-9-5-6-10(7-11(9)14)8-12(15)16-13(2,3)4;10-7(11)5-3-4-6(12-5)9-2-1-8-4;1-5-2-3-6(8)4-7(5)9(10)11;;/h2-10H,1H3,(H,25,27)(H,26,28);5-10H,1-4H3,(H,22,25)(H,23,24);2-7H,15H2,1H3,(H,18,19);5-7H,8H2,1-4H3;5-7H,8,14H2,1-4H3;1-3H,(H,10,11);2-4H,8H2,1H3;2*1H
InChIKeyRAUQOWGCKBMBNF-UHFFFAOYSA-N
XLogP21.06
TPSA524.98 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds16
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002014.99
LogP ≤ 521.06
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride with MolForge

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Related Compounds

tert-butyl N-thieno[2,3-b]pyrazin-6-ylcarbamate;3-(2-cyanopropan-2-yl)benzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoic acid;5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-thieno[2,3-b]pyrazin-6-ylbenzamide;ethyl 5-amino-2-methylbenzoate;ethyl 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylbenzoate;ethyl 2-methyl-5-nitrobenzoate;2-methyl-5-nitrobenzoic acid;thieno[2,3-b]pyrazin-6-amine;thieno[2,3-b]pyrazine-6-carboxylic acid
CID 157058808
2-(5-amino-2-methylanilino)-2-thieno[2,3-b]pyrazin-6-ylacetonitrile;3-(2-cyanopropan-2-yl)benzoic acid;2-methyl-5-nitroaniline;N-(2-methyl-5-nitrophenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-(2-methyl-5-nitrophenyl)thieno[2,3-b]pyrazine-6-carboximidoyl chloride;N-(2-methyl-5-nitrophenyl)thieno[2,3-b]pyrazine-6-carboximidoyl cyanide;thieno[2,3-b]pyrazine-6-carboxylic acid
CID 157098722
3-Bromo-1-benzothiophene;3-bromo-2-nitro-1-benzothiophene;tert-butyl 4-[3-[2-(2-nitro-1-benzothiophen-3-yl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;2-nitro-1-benzothiophen-3-amine
CID 159016577
2-(2-Amino-1-benzothiophen-3-yl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-bromo-1-benzothiophene;3-bromo-2-nitro-1-benzothiophene;tert-butyl 4-[3-[2-(2-amino-1-benzothiophen-3-yl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(2-nitro-1-benzothiophen-3-yl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;7-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-3-carboxylic acid;2-nitro-1-benzothiophen-3-amine
CID 160391573

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride (CID 159524215) is N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride is Cc1ccc(CC(=O)OC(C)(C)C)cc1N.Cc1ccc(CC(=O)OC(C)(C)C)cc1[N+](=O)[O-].Cc1ccc(N)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(N)cc1[N+](=O)[O-].Cc1ccc(NC(=O)OC(C)(C)C)cc1NC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2ccnc(Br)c2)cc1NC(=O)c1cc2nccnc2s1.Cl.Cl.O=C(O)c1cc2nccnc2s1.
What is the InChIKey of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride?
The InChIKey is RAUQOWGCKBMBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN5O2S.C19H20N4O3S.C14H12N4OS.C13H17NO4.C13H19NO2.C7H4N2O2S.C7H8N2O2.2ClH/c1-11-2-3-13(25-18(27)12-4-5-23-17(21)8-12)9-14(11)26-19(28)16-10-15-20(29-16)24-7-6-22-15;1-11-5-6-12(22-18(25)26-19(2,3)4)9-13(11)23-16(24)15-10-14-17(27-15)21-8-7-20-14;1-8-2-3-9(15)6-10(8)18-13(19)12-7-11-14(20-12)17-5-4-16-11;1-9-5-6-10(7-11(9)14(16)17)8-12(15)18-13(2,3)4;1-9-5-6-10(7-11(9)14)8-12(15)16-13(2,3)4;10-7(11)5-3-4-6(12-5)9-2-1-8-4;1-5-2-3-6(8)4-7(5)9(10)11;;/h2-10H,1H3,(H,25,27)(H,26,28);5-10H,1-4H3,(H,22,25)(H,23,24);2-7H,15H2,1H3,(H,18,19);5-7H,8H2,1-4H3;5-7H,8,14H2,1-4H3;1-3H,(H,10,11);2-4H,8H2,1H3;2*1H.
What are the key properties of N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride?
N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride has a molecular weight of 2014.99 g/mol, XLogP of 21.06, 16 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[5-[(2-bromopyridine-4-carbonyl)amino]-2-methylphenyl]thieno[2,3-b]pyrazine-6-carboxamide;tert-butyl 2-(3-amino-4-methylphenyl)acetate;tert-butyl 2-(4-methyl-3-nitrophenyl)acetate;tert-butyl N-[4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)phenyl]carbamate;4-methyl-3-nitroaniline;thieno[2,3-b]pyrazine-6-carboxylic acid;dihydrochloride is sourced from PubChem (CID 159524215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).