N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H18F3N3O2S — CID 75445083

IUPACN-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)N(CC(F)(F)F)C3CCCC3)c(=O)n2c1C
InChIInChI=1S/C16H18F3N3O2S/c1-9-10(2)25-15-20-7-12(14(24)22(9)15)13(23)21(8-16(17,18)19)11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3
InChIKeyOHRUPTKGIVSDHK-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.32
Rot. Bonds3

About N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 75445083) has the molecular formula C16H18F3N3O2S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID75445083
Molecular FormulaC16H18F3N3O2S
Molecular Weight373.40 g/mol
Exact Mass373.11
IUPAC NameN-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1sc2ncc(C(=O)N(CC(F)(F)F)C3CCCC3)c(=O)n2c1C
InChIInChI=1S/C16H18F3N3O2S/c1-9-10(2)25-15-20-7-12(14(24)22(9)15)13(23)21(8-16(17,18)19)11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3
InChIKeyOHRUPTKGIVSDHK-UHFFFAOYSA-N
XLogP3.32
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-6-(1-pyrrolidinylcarbonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17715959
2,3-dimethyl-5-oxo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 84598731
6-(3,3-Difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 146126063
N-cyclopentyl-2,3-dimethyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248362
N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469973
6-(Azepane-1-carbonyl)-2,3-dimethyl-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 17715961
N-cyclopentyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 47126326
6-(2-Ethylazepane-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 75444533
N-ethyl-2,3-dimethyl-N-(3-methylbutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 75445080
N-ethyl-2,3-dimethyl-N-(2-methylbutyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 84598658
N-cyclopentyl-N-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 87045818
6-[(2R)-2-ethylazepane-1-carbonyl]-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 97335358

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 75445083) is N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1sc2ncc(C(=O)N(CC(F)(F)F)C3CCCC3)c(=O)n2c1C.
What is the InChIKey of N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OHRUPTKGIVSDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2S/c1-9-10(2)25-15-20-7-12(14(24)22(9)15)13(23)21(8-16(17,18)19)11-5-3-4-6-11/h7,11H,3-6,8H2,1-2H3.
What are the key properties of N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 373.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 75445083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).