N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide

C21H15ClN2OS — CID 54857994

IUPACN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H15ClN2OS/c22-16-5-3-4-15(13-16)21(25)23-17-10-8-14(9-11-17)12-20-24-18-6-1-2-7-19(18)26-20/h1-11,13H,12H2,(H,23,25)
InChIKeyIOJUXHCPFPHPEL-UHFFFAOYSA-N
MW378.88 g/mol
LogP5.79
Rot. Bonds4

About N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide

N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide (PubChem CID 54857994) has the molecular formula C21H15ClN2OS and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide
PubChem CID54857994
Molecular FormulaC21H15ClN2OS
Molecular Weight378.88 g/mol
Exact Mass378.06
IUPAC NameN-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide
SMILESO=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C21H15ClN2OS/c22-16-5-3-4-15(13-16)21(25)23-17-10-8-14(9-11-17)12-20-24-18-6-1-2-7-19(18)26-20/h1-11,13H,12H2,(H,23,25)
InChIKeyIOJUXHCPFPHPEL-UHFFFAOYSA-N
XLogP5.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide 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-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 8699405
N-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamothioyl]-3,4-dichlorobenzamide
CID 54859141
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-cyanobenzamide
CID 8699402
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-propan-2-yloxybenzamide
CID 54858442
N-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 54859187
(2S)-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-chloropropanamide
CID 7063625
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 42116254
N-[4-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-4-oxobutyl]benzamide
CID 39777158
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 54858330
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 54858572
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
3-[[1-[4-(1,3-benzothiazol-2-ylmethyl)anilino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 45353734

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide (CID 54857994) is N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide is O=C(Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide?
The InChIKey is IOJUXHCPFPHPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2OS/c22-16-5-3-4-15(13-16)21(25)23-17-10-8-14(9-11-17)12-20-24-18-6-1-2-7-19(18)26-20/h1-11,13H,12H2,(H,23,25).
What are the key properties of N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide?
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-chlorobenzamide has a molecular weight of 378.88 g/mol, XLogP of 5.79, 4 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-ylmethyl)phenyl]-3-chlorobenzamide is sourced from PubChem (CID 54857994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).