2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

C13H12Cl2N2OS — CID 108737213

IUPAC2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(C(C)NC(=O)c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(12-6-19-8(2)17-12)16-13(18)10-4-3-9(14)5-11(10)15/h3-7H,1-2H3,(H,16,18)
InChIKeyVOQBQPAAAATKOI-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.25
Rot. Bonds3

About 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide

2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 108737213) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID108737213
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(C(C)NC(=O)c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(12-6-19-8(2)17-12)16-13(18)10-4-3-9(14)5-11(10)15/h3-7H,1-2H3,(H,16,18)
InChIKeyVOQBQPAAAATKOI-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760051
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitrobenzamide
CID 108737296
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43670029
2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809636
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
2-amino-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992429
(1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81353433
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760036
2,4-dichloro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474183
2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 96534453
2-hydroxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzamide
CID 167884060

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 108737213) is 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1nc(C(C)NC(=O)c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is VOQBQPAAAATKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-7(12-6-19-8(2)17-12)16-13(18)10-4-3-9(14)5-11(10)15/h3-7H,1-2H3,(H,16,18).
What are the key properties of 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 315.23 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 108737213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).