7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H11ClN2OS2 — CID 20873936

IUPAC7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CSc3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C14H11ClN2OS2/c1-9-7-17-13(18)6-11(16-14(17)20-9)8-19-12-4-2-10(15)3-5-12/h2-7H,8H2,1H3
InChIKeyNWGIAILLSSFDKE-UHFFFAOYSA-N
MW322.84 g/mol
LogP4.01
Rot. Bonds3

About 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 20873936) has the molecular formula C14H11ClN2OS2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID20873936
Molecular FormulaC14H11ClN2OS2
Molecular Weight322.84 g/mol
Exact Mass322.00
IUPAC Name7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)cc(CSc3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C14H11ClN2OS2/c1-9-7-17-13(18)6-11(16-14(17)20-9)8-19-12-4-2-10(15)3-5-12/h2-7H,8H2,1H3
InChIKeyNWGIAILLSSFDKE-UHFFFAOYSA-N
XLogP4.01
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 20873936) is 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)cc(CSc3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NWGIAILLSSFDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS2/c1-9-7-17-13(18)6-11(16-14(17)20-9)8-19-12-4-2-10(15)3-5-12/h2-7H,8H2,1H3.
What are the key properties of 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 322.84 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chlorophenyl)sulfanylmethyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 20873936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).