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

C13H13ClN2OS — CID 108760051

IUPAC4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(C(C)NC(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-8(12-7-18-9(2)16-12)15-13(17)10-3-5-11(14)6-4-10/h3-8H,1-2H3,(H,15,17)
InChIKeyITRUQBWWPFDJHA-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.60
Rot. Bonds3

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

4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 108760051) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID108760051
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCc1nc(C(C)NC(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-8(12-7-18-9(2)16-12)15-13(17)10-3-5-11(14)6-4-10/h3-8H,1-2H3,(H,15,17)
InChIKeyITRUQBWWPFDJHA-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737213
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-nitrobenzamide
CID 108737296
3,4-dimethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108760036
4-(3-hydroxy-3-methylbutyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 56894427
(1S)-1-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 81353433
2-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809636
4-(dimethylamino)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-nitrobenzamide
CID 108737167
4-(1-ethyl-3-methylpyrazol-4-yl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 122572013
2-ethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 90650191
3-ethoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 108737233
2-amino-N-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 99992429
(2R)-2-amino-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide;hydrochloride
CID 130620258

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide (CID 108760051) is 4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is Cc1nc(C(C)NC(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of 4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is ITRUQBWWPFDJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-8(12-7-18-9(2)16-12)15-13(17)10-3-5-11(14)6-4-10/h3-8H,1-2H3,(H,15,17).
What are the key properties of 4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide?
4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 280.78 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 108760051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).