3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

C17H15ClN2OS — CID 110443255

IUPAC3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C17H15ClN2OS/c1-11-19-15-8-7-14(10-16(15)22-11)20-17(21)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10H,4,9H2,1H3,(H,20,21)
InChIKeyJJHBOMIOUSHPQQ-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.83
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide

3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (PubChem CID 110443255) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
PubChem CID110443255
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2s1
InChIInChI=1S/C17H15ClN2OS/c1-11-19-15-8-7-14(10-16(15)22-11)20-17(21)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10H,4,9H2,1H3,(H,20,21)
InChIKeyJJHBOMIOUSHPQQ-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide 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

3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9085555
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
CID 119264601
4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(4-ethylphenyl)propanamide
CID 55769442
2-(4-chloro-2,6-dimethylphenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 7915180
3-[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl]carbamoylamino]ethoxy]phenyl]propanoic acid
CID 57340474
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
2-(3-chlorophenoxy)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 9473411
5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CID 110443255) is 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is Cc1nc2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2s1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The InChIKey is JJHBOMIOUSHPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-11-19-15-8-7-14(10-16(15)22-11)20-17(21)9-4-12-2-5-13(18)6-3-12/h2-3,5-8,10H,4,9H2,1H3,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has a molecular weight of 330.84 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is sourced from PubChem (CID 110443255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).