5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

C9H8N4O2S — CID 751462

IUPAC5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)N2C(=O)CSC2=C(C(N)=O)C1
InChIInChI=1S/C9H8N4O2S/c10-2-4-1-5(8(12)15)9-13(7(4)11)6(14)3-16-9/h1,3,11H2,(H2,12,15)
InChIKeyKTLUVOGTJWATKR-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.64
Rot. Bonds1

About 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide

5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (PubChem CID 751462) has the molecular formula C9H8N4O2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
PubChem CID751462
Molecular FormulaC9H8N4O2S
Molecular Weight236.26 g/mol
Exact Mass236.04
IUPAC Name5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide
SMILESN#CC1=C(N)N2C(=O)CSC2=C(C(N)=O)C1
InChIInChI=1S/C9H8N4O2S/c10-2-4-1-5(8(12)15)9-13(7(4)11)6(14)3-16-9/h1,3,11H2,(H2,12,15)
InChIKeyKTLUVOGTJWATKR-UHFFFAOYSA-N
XLogP-0.64
TPSA113.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The IUPAC name of 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide (CID 751462) is 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The canonical SMILES for 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is N#CC1=C(N)N2C(=O)CSC2=C(C(N)=O)C1.
What is the InChIKey of 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
The InChIKey is KTLUVOGTJWATKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2S/c10-2-4-1-5(8(12)15)9-13(7(4)11)6(14)3-16-9/h1,3,11H2,(H2,12,15).
What are the key properties of 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide?
5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide has a molecular weight of 236.26 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-cyano-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 751462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).