N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide

C14H9N3O2S2 — CID 4789387

IUPACN-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide
SMILESCc1csc2c(C#N)cc(NC(=O)c3cccs3)c(=O)n12
InChIInChI=1S/C14H9N3O2S2/c1-8-7-21-14-9(6-15)5-10(13(19)17(8)14)16-12(18)11-3-2-4-20-11/h2-5,7H,1H3,(H,16,18)
InChIKeyNZCMYBQSHPGWKQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.85
Rot. Bonds2

About N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide

N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide (PubChem CID 4789387) has the molecular formula C14H9N3O2S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide
PubChem CID4789387
Molecular FormulaC14H9N3O2S2
Molecular Weight315.38 g/mol
Exact Mass315.01
IUPAC NameN-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide
SMILESCc1csc2c(C#N)cc(NC(=O)c3cccs3)c(=O)n12
InChIInChI=1S/C14H9N3O2S2/c1-8-7-21-14-9(6-15)5-10(13(19)17(8)14)16-12(18)11-3-2-4-20-11/h2-5,7H,1H3,(H,16,18)
InChIKeyNZCMYBQSHPGWKQ-UHFFFAOYSA-N
XLogP2.85
TPSA74.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide?
The IUPAC name of N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide (CID 4789387) is N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide is Cc1csc2c(C#N)cc(NC(=O)c3cccs3)c(=O)n12.
What is the InChIKey of N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide?
The InChIKey is NZCMYBQSHPGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S2/c1-8-7-21-14-9(6-15)5-10(13(19)17(8)14)16-12(18)11-3-2-4-20-11/h2-5,7H,1H3,(H,16,18).
What are the key properties of N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide?
N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-cyano-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl)thiophene-2-carboxamide is sourced from PubChem (CID 4789387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).