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

C15H17ClN2OS — CID 166224655

IUPAC3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide
SMILESCCC(C)(NC(=O)c1cccc(Cl)c1C)c1nccs1
InChIInChI=1S/C15H17ClN2OS/c1-4-15(3,14-17-8-9-20-14)18-13(19)11-6-5-7-12(16)10(11)2/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyQCXWIYANADMQJS-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.16
Rot. Bonds4

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

3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide (PubChem CID 166224655) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide
PubChem CID166224655
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC Name3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide
SMILESCCC(C)(NC(=O)c1cccc(Cl)c1C)c1nccs1
InChIInChI=1S/C15H17ClN2OS/c1-4-15(3,14-17-8-9-20-14)18-13(19)11-6-5-7-12(16)10(11)2/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyQCXWIYANADMQJS-UHFFFAOYSA-N
XLogP4.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685730
2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967
1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97095551
4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892442
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
5-chloro-4-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]benzamide
CID 146149973
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868953
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide (CID 166224655) is 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide is CCC(C)(NC(=O)c1cccc(Cl)c1C)c1nccs1.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide?
The InChIKey is QCXWIYANADMQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-4-15(3,14-17-8-9-20-14)18-13(19)11-6-5-7-12(16)10(11)2/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide?
3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide has a molecular weight of 308.83 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 166224655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).