6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C13H13F2N3O2S — CID 146126063

IUPAC6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2ncc(C(=O)N3CCC(F)(F)C3)c(=O)n2c1C
InChIInChI=1S/C13H13F2N3O2S/c1-7-8(2)21-12-16-5-9(11(20)18(7)12)10(19)17-4-3-13(14,15)6-17/h5H,3-4,6H2,1-2H3
InChIKeySGURDRTTXMMVPV-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.85
Rot. Bonds1

About 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 146126063) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID146126063
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2ncc(C(=O)N3CCC(F)(F)C3)c(=O)n2c1C
InChIInChI=1S/C13H13F2N3O2S/c1-7-8(2)21-12-16-5-9(11(20)18(7)12)10(19)17-4-3-13(14,15)6-17/h5H,3-4,6H2,1-2H3
InChIKeySGURDRTTXMMVPV-UHFFFAOYSA-N
XLogP1.85
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-6-(1-pyrrolidinylcarbonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17715959
N-cyclopentyl-2,3-dimethyl-5-oxo-N-(2,2,2-trifluoroethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 75445083
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
3-Methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3420653
N,2,3-trimethyl-5-oxo-N-propyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469973
6-(2,2-Dimethyl-1,3-thiazolidine-3-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470038
N,2,3-trimethyl-5-oxo-N-prop-2-ynyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470529
2-Methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470982
N,2,3-trimethyl-5-oxo-N-prop-2-enyl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471064
N-butyl-N-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 23877148
N,N-diethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 60675022
N,N-dimethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 60692166

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 146126063) is 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1sc2ncc(C(=O)N3CCC(F)(F)C3)c(=O)n2c1C.
What is the InChIKey of 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SGURDRTTXMMVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-7-8(2)21-12-16-5-9(11(20)18(7)12)10(19)17-4-3-13(14,15)6-17/h5H,3-4,6H2,1-2H3.
What are the key properties of 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 313.33 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropyrrolidine-1-carbonyl)-2,3-dimethyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 146126063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).