3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H17N3O2S — CID 126470064

IUPAC3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)N(C)C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O2S/c1-5-9-7-19-13-14-6-10(12(18)16(9)13)11(17)15(4)8(2)3/h6-8H,5H2,1-4H3
InChIKeyFQHHVLWUFKNGTE-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.80
Rot. Bonds3

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

3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470064) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470064
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCc1csc2ncc(C(=O)N(C)C(C)C)c(=O)n12
InChIInChI=1S/C13H17N3O2S/c1-5-9-7-19-13-14-6-10(12(18)16(9)13)11(17)15(4)8(2)3/h6-8H,5H2,1-4H3
InChIKeyFQHHVLWUFKNGTE-UHFFFAOYSA-N
XLogP1.80
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45488375
3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16767103
5-oxo-N,N-di(propan-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598504
3-Methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5183768
N-methyl-2-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-propylacetamide
CID 50848343
3-methyl-5-oxo-N-(2-sulfanylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 177680073
5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 375437
7-ethylsulfanyl-N-methyl-5-oxo-N-propan-2-yl-3-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469977
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
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
6-(3,5-Dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4096358

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470064) is 3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCc1csc2ncc(C(=O)N(C)C(C)C)c(=O)n12.
What is the InChIKey of 3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FQHHVLWUFKNGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-5-9-7-19-13-14-6-10(12(18)16(9)13)11(17)15(4)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of 3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-5-oxo-N-propan-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).