N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C13H8ClN3O3S — CID 135493467

IUPACN-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C13H8ClN3O3S/c14-7-1-3-8(4-2-7)15-10(18)9-11(19)16-13-17(12(9)20)5-6-21-13/h1-6,19H,(H,15,18)
InChIKeyOMVRRNJMQPUMDJ-UHFFFAOYSA-N
MW321.75 g/mol
LogP2.37
Rot. Bonds2

About N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 135493467) has the molecular formula C13H8ClN3O3S and a molecular weight of 321.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID135493467
Molecular FormulaC13H8ClN3O3S
Molecular Weight321.75 g/mol
Exact Mass321.00
IUPAC NameN-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1c(O)nc2sccn2c1=O
InChIInChI=1S/C13H8ClN3O3S/c14-7-1-3-8(4-2-7)15-10(18)9-11(19)16-13-17(12(9)20)5-6-21-13/h1-6,19H,(H,15,18)
InChIKeyOMVRRNJMQPUMDJ-UHFFFAOYSA-N
XLogP2.37
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-hydroxy-5-oxo-N-(pyridin-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853318
7-hydroxy-5-oxo-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135853317
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(4-chlorophenyl)prop-2-enamide
CID 36678294
2,4,5,6-tetrachloro-N-(4-chlorophenyl)pyridine-3-carboxamide
CID 4656022
N-(4-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 54734438
[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 2799703
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135938794
6-benzyl-7-hydroxy-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 137304098
N-(4-chlorophenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 5057213
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(3-chlorobenzoyl)amino]benzoate
CID 46343424
(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol
CID 166256198
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45154033

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 135493467) is N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccc(Cl)cc1)c1c(O)nc2sccn2c1=O.
What is the InChIKey of N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is OMVRRNJMQPUMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O3S/c14-7-1-3-8(4-2-7)15-10(18)9-11(19)16-13-17(12(9)20)5-6-21-13/h1-6,19H,(H,15,18).
What are the key properties of N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 321.75 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135493467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).