(4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone

C11H8ClNOS — CID 39234450

IUPAC(4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8ClNOS/c1-7-6-15-11(13-7)10(14)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyKBZKCJDERXTAIV-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.34
Rot. Bonds2

About (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone

(4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 39234450) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone
PubChem CID39234450
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C11H8ClNOS/c1-7-6-15-11(13-7)10(14)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyKBZKCJDERXTAIV-UHFFFAOYSA-N
XLogP3.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone (CID 39234450) is (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone is Cc1csc(C(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is KBZKCJDERXTAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7-6-15-11(13-7)10(14)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone?
(4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 237.71 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 39234450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).