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

C13H10ClN3O2S — CID 4123387

IUPACN-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H10ClN3O2S/c14-8-1-3-9(4-2-8)16-11(18)10-7-15-13-17(12(10)19)5-6-20-13/h1-4,7H,5-6H2,(H,16,18)
InChIKeyGCNFHMOHTNGJEA-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.25
Rot. Bonds2

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

N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4123387) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4123387
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC NameN-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C13H10ClN3O2S/c14-8-1-3-9(4-2-8)16-11(18)10-7-15-13-17(12(10)19)5-6-20-13/h1-4,7H,5-6H2,(H,16,18)
InChIKeyGCNFHMOHTNGJEA-UHFFFAOYSA-N
XLogP2.25
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4123387) is N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is GCNFHMOHTNGJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c14-8-1-3-9(4-2-8)16-11(18)10-7-15-13-17(12(10)19)5-6-20-13/h1-4,7H,5-6H2,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 307.76 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4123387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).