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

C13H9ClN2OS2 — CID 3888445

IUPAC7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C13H9ClN2OS2/c14-9-1-3-11(4-2-9)19-8-10-7-12(17)16-5-6-18-13(16)15-10/h1-7H,8H2
InChIKeyHBXPVZBSZGEJKI-UHFFFAOYSA-N
MW308.82 g/mol
LogP3.70
Rot. Bonds3

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

7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3888445) has the molecular formula C13H9ClN2OS2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3888445
Molecular FormulaC13H9ClN2OS2
Molecular Weight308.82 g/mol
Exact Mass307.98
IUPAC Name7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(CSc2ccc(Cl)cc2)nc2sccn12
InChIInChI=1S/C13H9ClN2OS2/c14-9-1-3-11(4-2-9)19-8-10-7-12(17)16-5-6-18-13(16)15-10/h1-7H,8H2
InChIKeyHBXPVZBSZGEJKI-UHFFFAOYSA-N
XLogP3.70
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 53.70
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]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3888445) is 7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(CSc2ccc(Cl)cc2)nc2sccn12.
What is the InChIKey of 7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HBXPVZBSZGEJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS2/c14-9-1-3-11(4-2-9)19-8-10-7-12(17)16-5-6-18-13(16)15-10/h1-7H,8H2.
What are the key properties of 7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[(4-chlorophenyl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 308.82 g/mol, XLogP of 3.70, 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]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3888445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).