N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

C19H13ClN2OS — CID 4502392

IUPACN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCc1cc2sc(NC(=O)c3cccc4ccccc34)nc2cc1Cl
InChIInChI=1S/C19H13ClN2OS/c1-11-9-17-16(10-15(11)20)21-19(24-17)22-18(23)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3,(H,21,22,23)
InChIKeyWLFRKMKNKZDGCO-UHFFFAOYSA-N
MW352.85 g/mol
LogP5.66
Rot. Bonds2

About N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (PubChem CID 4502392) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
PubChem CID4502392
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
SMILESCc1cc2sc(NC(=O)c3cccc4ccccc34)nc2cc1Cl
InChIInChI=1S/C19H13ClN2OS/c1-11-9-17-16(10-15(11)20)21-19(24-17)22-18(23)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3,(H,21,22,23)
InChIKeyWLFRKMKNKZDGCO-UHFFFAOYSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide 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-(5,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 7524836
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
N-(4,5-dichloro-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 40619545
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
2-chloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 1314620
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4237233
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
4-bromo-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-methoxynaphthalene-2-carboxamide
CID 17316549
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307866
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 19203542

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide (CID 4502392) is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is Cc1cc2sc(NC(=O)c3cccc4ccccc34)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
The InChIKey is WLFRKMKNKZDGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c1-11-9-17-16(10-15(11)20)21-19(24-17)22-18(23)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3,(H,21,22,23).
What are the key properties of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide?
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide has a molecular weight of 352.85 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 4502392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).