N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H9ClFN3O2S — CID 2739522

IUPACN-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H9ClFN3O2S/c14-9-5-7(1-2-10(9)15)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-2,5-6H,3-4H2,(H,17,19)
InChIKeyKQDRZBYPAHZMAF-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.39
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 2739522) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID2739522
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H9ClFN3O2S/c14-9-5-7(1-2-10(9)15)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-2,5-6H,3-4H2,(H,17,19)
InChIKeyKQDRZBYPAHZMAF-UHFFFAOYSA-N
XLogP2.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5H-Thiazolo(3,2-a)pyrimidine-6-carboxamide, 2,3-dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-
CID 4123591
N-(3-chloro-4-fluorophenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 973107
N-(2-chlorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4577121
5-oxo-N-phenyl-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 5069368
N-(3-Chlorophenyl)-5-oxo-2-(pyrrolidin-1-YL)-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 16026054
1-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 3155567
N-(4-chloro-2-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135543441
N-(3-chloro-4-fluorophenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135623265
2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 135407474
6-[4-(3,4-Dichlorophenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3242531
N-(2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4129119
2-((2-((4-acetamidophenyl)amino)-2-oxoethyl)thio)-N-(4-chlorophenyl)-1-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 18572149

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 2739522) is N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KQDRZBYPAHZMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c14-9-5-7(1-2-10(9)15)17-11(19)8-6-16-13-18(12(8)20)3-4-21-13/h1-2,5-6H,3-4H2,(H,17,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 325.75 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 2739522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).