3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide

C16H12ClN5OS — CID 23007537

IUPAC3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sc2nc(N)c(C#N)cc2c1N
InChIInChI=1S/C16H12ClN5OS/c1-7-2-3-9(17)5-11(7)21-15(23)13-12(19)10-4-8(6-18)14(20)22-16(10)24-13/h2-5H,19H2,1H3,(H2,20,22)(H,21,23)
InChIKeyRYFKFGZAFYXEGB-UHFFFAOYSA-N
MW357.83 g/mol
LogP3.55
Rot. Bonds2

About 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23007537) has the molecular formula C16H12ClN5OS and a molecular weight of 357.83 g/mol. Its IUPAC name is 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
PubChem CID23007537
Molecular FormulaC16H12ClN5OS
Molecular Weight357.83 g/mol
Exact Mass357.05
IUPAC Name3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1sc2nc(N)c(C#N)cc2c1N
InChIInChI=1S/C16H12ClN5OS/c1-7-2-3-9(17)5-11(7)21-15(23)13-12(19)10-4-8(6-18)14(20)22-16(10)24-13/h2-5H,19H2,1H3,(H2,20,22)(H,21,23)
InChIKeyRYFKFGZAFYXEGB-UHFFFAOYSA-N
XLogP3.55
TPSA117.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.83
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-diamino-5-cyano-N-(2-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2215175
3,6-diamino-5-cyano-N-(2-fluoro-4-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007536
3,6-diamino-5-cyano-N-(3-methylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 939705
3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007543
3,6-diamino-5-cyano-N-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3154865
3,6-diamino-5-cyano-N-(4-cyanocyclohexa-1,3-dien-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 90213432
3-amino-N-(5-chloro-2-methylphenyl)-4,6-bis(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3134250
3,6-diamino-N-(4-butan-2-ylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide
CID 3554887
4-amino-2-anilino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 23102164
3,6-diamino-2-(cyclopropanecarbonyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 3409545
4-amino-3,5-dichloro-N-(5-chloro-2-methylphenyl)benzamide
CID 82833124
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide (CID 23007537) is 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1sc2nc(N)c(C#N)cc2c1N.
What is the InChIKey of 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RYFKFGZAFYXEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5OS/c1-7-2-3-9(17)5-11(7)21-15(23)13-12(19)10-4-8(6-18)14(20)22-16(10)24-13/h2-5H,19H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 357.83 g/mol, XLogP of 3.55, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-N-(5-chloro-2-methylphenyl)-5-cyanothieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23007537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).