(2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone

C11H8ClNOS — CID 130624383

IUPAC(2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone
SMILESCc1ccc(C(=O)c2ccsn2)c(Cl)c1
InChIInChI=1S/C11H8ClNOS/c1-7-2-3-8(9(12)6-7)11(14)10-4-5-15-13-10/h2-6H,1H3
InChIKeyYACQOBJRTABTND-UHFFFAOYSA-N
MW237.71 g/mol
LogP3.34
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone

(2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone (PubChem CID 130624383) has the molecular formula C11H8ClNOS and a molecular weight of 237.71 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone
PubChem CID130624383
Molecular FormulaC11H8ClNOS
Molecular Weight237.71 g/mol
Exact Mass237.00
IUPAC Name(2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone
SMILESCc1ccc(C(=O)c2ccsn2)c(Cl)c1
InChIInChI=1S/C11H8ClNOS/c1-7-2-3-8(9(12)6-7)11(14)10-4-5-15-13-10/h2-6H,1H3
InChIKeyYACQOBJRTABTND-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 (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone (CID 130624383) is (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone is Cc1ccc(C(=O)c2ccsn2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone?
The InChIKey is YACQOBJRTABTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNOS/c1-7-2-3-8(9(12)6-7)11(14)10-4-5-15-13-10/h2-6H,1H3.
What are the key properties of (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone?
(2-chloro-4-methylphenyl)-(1,2-thiazol-3-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 (2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 130624383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).