1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride

C13H14Cl3NOS — CID 173113833

IUPAC1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride
SMILESCC1=C(C)N(CC(=O)c2ccc(Cl)cc2Cl)CS1.Cl
InChIInChI=1S/C13H13Cl2NOS.ClH/c1-8-9(2)18-7-16(8)6-13(17)11-4-3-10(14)5-12(11)15;/h3-5H,6-7H2,1-2H3;1H
InChIKeyLATIBZRXGSWQHF-UHFFFAOYSA-N
MW338.69 g/mol
LogP4.86
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride

1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride (PubChem CID 173113833) has the molecular formula C13H14Cl3NOS and a molecular weight of 338.69 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride
PubChem CID173113833
Molecular FormulaC13H14Cl3NOS
Molecular Weight338.69 g/mol
Exact Mass336.99
IUPAC Name1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride
SMILESCC1=C(C)N(CC(=O)c2ccc(Cl)cc2Cl)CS1.Cl
InChIInChI=1S/C13H13Cl2NOS.ClH/c1-8-9(2)18-7-16(8)6-13(17)11-4-3-10(14)5-12(11)15;/h3-5H,6-7H2,1-2H3;1H
InChIKeyLATIBZRXGSWQHF-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.69
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride (CID 173113833) is 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride is CC1=C(C)N(CC(=O)c2ccc(Cl)cc2Cl)CS1.Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride?
The InChIKey is LATIBZRXGSWQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS.ClH/c1-8-9(2)18-7-16(8)6-13(17)11-4-3-10(14)5-12(11)15;/h3-5H,6-7H2,1-2H3;1H.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride?
1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride has a molecular weight of 338.69 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 173113833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).