3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C8H7N3O2S — CID 16767103

IUPAC3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(N)=O)c(=O)n12
InChIInChI=1S/C8H7N3O2S/c1-4-3-14-8-10-2-5(6(9)12)7(13)11(4)8/h2-3H,1H3,(H2,9,12)
InChIKeySHTVMISVYNXJPU-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.16
Rot. Bonds1

About 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 16767103) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID16767103
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(N)=O)c(=O)n12
InChIInChI=1S/C8H7N3O2S/c1-4-3-14-8-10-2-5(6(9)12)7(13)11(4)8/h2-3H,1H3,(H2,9,12)
InChIKeySHTVMISVYNXJPU-UHFFFAOYSA-N
XLogP0.16
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16767104
3-methyl-5-oxo-N-(2-sulfanylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 177680073
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
3-methyl-5-oxo-N-(2,2,2-trifluoroethoxy)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 167965563
N,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3419989
3-Methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3420653
N-isopropyl-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4143238
5-oxo-N-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4161274
N-[2-(dimethylamino)ethyl]-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4193341
3-Methyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4321572
N-allyl-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4325016
N-(tert-butyl)-3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4388343

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 16767103) is 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(N)=O)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is SHTVMISVYNXJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-4-3-14-8-10-2-5(6(9)12)7(13)11(4)8/h2-3H,1H3,(H2,9,12).
What are the key properties of 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 209.23 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 16767103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).