1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride

C12H11Cl2NOS — CID 50988056

IUPAC1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)nc1C.Cl
InChIInChI=1S/C12H10ClNOS.ClH/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9;/h3-6H,1-2H3;1H
InChIKeySSWFCVMJNYOTPM-UHFFFAOYSA-N
MW288.20 g/mol
LogP4.40
Rot. Bonds2

About 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride

1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride (PubChem CID 50988056) has the molecular formula C12H11Cl2NOS and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
PubChem CID50988056
Molecular FormulaC12H11Cl2NOS
Molecular Weight288.20 g/mol
Exact Mass286.99
IUPAC Name1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride
SMILESCC(=O)c1sc(-c2ccc(Cl)cc2)nc1C.Cl
InChIInChI=1S/C12H10ClNOS.ClH/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9;/h3-6H,1-2H3;1H
InChIKeySSWFCVMJNYOTPM-UHFFFAOYSA-N
XLogP4.40
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
The IUPAC name of 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride (CID 50988056) is 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride is CC(=O)c1sc(-c2ccc(Cl)cc2)nc1C.Cl.
What is the InChIKey of 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
The InChIKey is SSWFCVMJNYOTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS.ClH/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9;/h3-6H,1-2H3;1H.
What are the key properties of 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride?
1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride has a molecular weight of 288.20 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone;hydrochloride is sourced from PubChem (CID 50988056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).