3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

C12H13N5OS — CID 3115449

IUPAC3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C12H13N5OS/c1-4(2)6-5(3-13)10(15)17-12-7(6)8(14)9(19-12)11(16)18/h4H,14H2,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyMCXTXFXCCCVHBL-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.55
Rot. Bonds2

About 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 3115449) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID3115449
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC Name3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C12H13N5OS/c1-4(2)6-5(3-13)10(15)17-12-7(6)8(14)9(19-12)11(16)18/h4H,14H2,1-2H3,(H2,15,17)(H2,16,18)
InChIKeyMCXTXFXCCCVHBL-UHFFFAOYSA-N
XLogP1.55
TPSA131.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-diamino-2-(4-ethylpiperazine-1-carbonyl)-4-propan-2-ylthieno[2,3-b]pyridine-5-carbonitrile
CID 21232655
N-(3-acetylphenyl)-3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 125117831
3,6-diamino-5-cyano-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3117016
3,6-diamino-5-cyano-4-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25034689
3,6-diamino-5-cyano-4-(1-methylpyrrol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 11312976
3,6-diamino-5-cyano-4-(furan-3-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 11220276
3,6-diamino-5-cyano-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 21232473
3,6-diamino-5-cyano-4-(1-methylindol-2-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 59486193
methyl 2-[(3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 23858375
3,6-diamino-N-tert-butyl-5-cyano-4-(4-propan-2-ylphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23830110
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
3-amino-5-cyano-6-(methylamino)-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 11290410

Frequently Asked Questions

What is the IUPAC name of 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide (CID 3115449) is 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is CC(C)c1c(C#N)c(N)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is MCXTXFXCCCVHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-4(2)6-5(3-13)10(15)17-12-7(6)8(14)9(19-12)11(16)18/h4H,14H2,1-2H3,(H2,15,17)(H2,16,18).
What are the key properties of 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide?
3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diamino-5-cyano-4-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 3115449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).