N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide

C21H15ClN2OS — CID 46785977

IUPACN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C21H15ClN2OS/c1-13-12-14(21-24-18-8-4-5-9-19(18)26-21)10-11-17(13)23-20(25)15-6-2-3-7-16(15)22/h2-12H,1H3,(H,23,25)
InChIKeyWEWJUMFNHYFCRJ-UHFFFAOYSA-N
MW378.88 g/mol
LogP6.18
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide (PubChem CID 46785977) has the molecular formula C21H15ClN2OS and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
PubChem CID46785977
Molecular FormulaC21H15ClN2OS
Molecular Weight378.88 g/mol
Exact Mass378.06
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
SMILESCc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C21H15ClN2OS/c1-13-12-14(21-24-18-8-4-5-9-19(18)26-21)10-11-17(13)23-20(25)15-6-2-3-7-16(15)22/h2-12H,1H3,(H,23,25)
InChIKeyWEWJUMFNHYFCRJ-UHFFFAOYSA-N
XLogP6.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 17116673
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-methylbenzamide
CID 17132014
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]benzamide
CID 17100714
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,6-dimethoxybenzamide
CID 46502802
2-chloro-N-[4-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]benzamide
CID 2313060
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17116671
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-ethoxybenzamide
CID 3934866
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-ethylbenzamide
CID 46502801
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide
CID 2283555
1-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 46381200
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-chlorobenzamide
CID 3120632
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-propan-2-yloxybenzamide
CID 2224805

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide (CID 46785977) is N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide is Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1Cl.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide?
The InChIKey is WEWJUMFNHYFCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2OS/c1-13-12-14(21-24-18-8-4-5-9-19(18)26-21)10-11-17(13)23-20(25)15-6-2-3-7-16(15)22/h2-12H,1H3,(H,23,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide?
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide has a molecular weight of 378.88 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide is sourced from PubChem (CID 46785977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).