3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C16H17N5OS — CID 143505135

IUPAC3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3cccc(N)c3)c(N)c2c(C)c1N
InChIInChI=1S/C16H17N5OS/c1-7-11-13(19)14(23-16(11)20-8(2)12(7)18)15(22)21-10-5-3-4-9(17)6-10/h3-6H,17-19H2,1-2H3,(H,21,22)
InChIKeyNBKSIQRMYQSWMH-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.91
Rot. Bonds2

About 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 143505135) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID143505135
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1nc2sc(C(=O)Nc3cccc(N)c3)c(N)c2c(C)c1N
InChIInChI=1S/C16H17N5OS/c1-7-11-13(19)14(23-16(11)20-8(2)12(7)18)15(22)21-10-5-3-4-9(17)6-10/h3-6H,17-19H2,1-2H3,(H,21,22)
InChIKeyNBKSIQRMYQSWMH-UHFFFAOYSA-N
XLogP2.91
TPSA120.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,5,6-trimethyl-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23944794
3-amino-N-(3,4-dichlorophenyl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 5299650
5-amino-3,4-dimethyl-N-[3-(methylsulfanylmethyl)phenyl]thieno[2,3-c]pyridazine-6-carboxamide
CID 134502874
3-amino-6-methyl-N-(3-methylphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1178305
3-amino-N-(3,4-dichlorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 1144500
ethyl 3-[(3-amino-5,6-dimethylthieno[2,3-b]pyridine-2-carbonyl)amino]benzoate
CID 171133227
3-amino-N-(1,3-benzothiazol-2-yl)-4,5,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
CID 15992244
5-amino-N-(3-methoxyphenyl)-4-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxamide
CID 35177368
3-amino-6-(difluoromethyl)-4-methyl-N-(3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19581270
3-amino-5-[2-(4-bromophenyl)-2-oxoethyl]-4,6-dimethyl-N-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19059135
3-amino-4,5,6-trimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 23914321
3-amino-4,6-dimethyl-N-(4-methyl-3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23888941

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 143505135) is 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1nc2sc(C(=O)Nc3cccc(N)c3)c(N)c2c(C)c1N.
What is the InChIKey of 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is NBKSIQRMYQSWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-7-11-13(19)14(23-16(11)20-8(2)12(7)18)15(22)21-10-5-3-4-9(17)6-10/h3-6H,17-19H2,1-2H3,(H,21,22).
What are the key properties of 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(3-aminophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 143505135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).