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

C14H10ClN3O2S — CID 4073758

IUPACN-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H10ClN3O2S/c15-10-3-1-9(2-4-10)7-16-12(19)11-8-17-14-18(13(11)20)5-6-21-14/h1-6,8H,7H2,(H,16,19)
InChIKeyVGBOHVMBOJHSRT-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.34
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4073758) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4073758
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC NameN-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cnc2sccn2c1=O
InChIInChI=1S/C14H10ClN3O2S/c15-10-3-1-9(2-4-10)7-16-12(19)11-8-17-14-18(13(11)20)5-6-21-14/h1-6,8H,7H2,(H,16,19)
InChIKeyVGBOHVMBOJHSRT-UHFFFAOYSA-N
XLogP2.34
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4073758) is N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NCc1ccc(Cl)cc1)c1cnc2sccn2c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VGBOHVMBOJHSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-10-3-1-9(2-4-10)7-16-12(19)11-8-17-14-18(13(11)20)5-6-21-14/h1-6,8H,7H2,(H,16,19).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 319.77 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4073758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).