N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide

C15H12ClN3OS — CID 106860352

IUPACN-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)c(Cl)c1
InChIInChI=1S/C15H12ClN3OS/c1-8-2-4-10(11(16)6-8)14(20)19-15-18-12-5-3-9(17)7-13(12)21-15/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeyTUEMLHQCWBDSLA-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.09
Rot. Bonds2

About N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide

N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide (PubChem CID 106860352) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
PubChem CID106860352
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)c(Cl)c1
InChIInChI=1S/C15H12ClN3OS/c1-8-2-4-10(11(16)6-8)14(20)19-15-18-12-5-3-9(17)7-13(12)21-15/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeyTUEMLHQCWBDSLA-UHFFFAOYSA-N
XLogP4.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
4-amino-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 62151806
3,5-diamino-N-(6-amino-1,3-benzothiazol-2-yl)benzamide
CID 815525
N-(6-amino-1,3-benzothiazol-2-yl)-3,5-dichlorobenzamide
CID 29302670
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
2-chloro-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methylbenzamide
CID 1396408
N-[(6-acetamido-1,3-benzothiazol-2-yl)carbamothioyl]-2-chloro-4-methylbenzamide
CID 4995122
6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
N-(6-amino-1,3-benzothiazol-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 65237523
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide (CID 106860352) is N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc3ccc(N)cc3s2)c(Cl)c1.
What is the InChIKey of N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide?
The InChIKey is TUEMLHQCWBDSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-8-2-4-10(11(16)6-8)14(20)19-15-18-12-5-3-9(17)7-13(12)21-15/h2-7H,17H2,1H3,(H,18,19,20).
What are the key properties of N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide?
N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide has a molecular weight of 317.80 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzothiazol-2-yl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106860352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).