N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide

C16H13ClN2OS — CID 3575126

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc3c(Cl)cccc3s2)c1
InChIInChI=1S/C16H13ClN2OS/c1-9-6-7-10(2)11(8-9)15(20)19-16-18-14-12(17)4-3-5-13(14)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyBGUIMFIWEKNPMU-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.82
Rot. Bonds2

About N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide

N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide (PubChem CID 3575126) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
PubChem CID3575126
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)Nc2nc3c(Cl)cccc3s2)c1
InChIInChI=1S/C16H13ClN2OS/c1-9-6-7-10(2)11(8-9)15(20)19-16-18-14-12(17)4-3-5-13(14)21-16/h3-8H,1-2H3,(H,18,19,20)
InChIKeyBGUIMFIWEKNPMU-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide 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

N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 7193169
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3344551
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
2,5-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 3297562
2,6-dichloro-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 35591092
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
4-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)benzamide
CID 4570143
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
N'-(4,7-dichloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzohydrazide
CID 7600050
N-(4-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 7254503
N-(4-chloro-1,3-benzothiazol-2-yl)-4-cyano-2-fluorobenzamide
CID 953858

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide (CID 3575126) is N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)Nc2nc3c(Cl)cccc3s2)c1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
The InChIKey is BGUIMFIWEKNPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-9-6-7-10(2)11(8-9)15(20)19-16-18-14-12(17)4-3-5-13(14)21-16/h3-8H,1-2H3,(H,18,19,20).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide has a molecular weight of 316.81 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide is sourced from PubChem (CID 3575126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).