N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C11H8N4O2S2 — CID 4200863

IUPACN-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc(NC(=O)c2cnc3sccn3c2=O)n1
InChIInChI=1S/C11H8N4O2S2/c1-6-5-19-10(13-6)14-8(16)7-4-12-11-15(9(7)17)2-3-18-11/h2-5H,1H3,(H,13,14,16)
InChIKeyWNLBQENBGUQSNZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.77
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4200863) has the molecular formula C11H8N4O2S2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4200863
Molecular FormulaC11H8N4O2S2
Molecular Weight292.35 g/mol
Exact Mass292.01
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc(NC(=O)c2cnc3sccn3c2=O)n1
InChIInChI=1S/C11H8N4O2S2/c1-6-5-19-10(13-6)14-8(16)7-4-12-11-15(9(7)17)2-3-18-11/h2-5H,1H3,(H,13,14,16)
InChIKeyWNLBQENBGUQSNZ-UHFFFAOYSA-N
XLogP1.77
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4200863) is N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc(NC(=O)c2cnc3sccn3c2=O)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is WNLBQENBGUQSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S2/c1-6-5-19-10(13-6)14-8(16)7-4-12-11-15(9(7)17)2-3-18-11/h2-5H,1H3,(H,13,14,16).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4200863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).