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

C15H12ClN3OS — CID 29277984

IUPAC3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H12ClN3OS/c1-8-10(3-2-4-11(8)17)14(20)19-15-18-12-6-5-9(16)7-13(12)21-15/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeyMFTZVXCLFFTLGA-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.09
Rot. Bonds2

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

3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide (PubChem CID 29277984) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
PubChem CID29277984
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C15H12ClN3OS/c1-8-10(3-2-4-11(8)17)14(20)19-15-18-12-6-5-9(16)7-13(12)21-15/h2-7H,17H2,1H3,(H,18,19,20)
InChIKeyMFTZVXCLFFTLGA-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'}

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

1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
4-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65354962
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide
CID 3528425
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3606712
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide (CID 29277984) is 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide?
The InChIKey is MFTZVXCLFFTLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-8-10(3-2-4-11(8)17)14(20)19-15-18-12-6-5-9(16)7-13(12)21-15/h2-7H,17H2,1H3,(H,18,19,20).
What are the key properties of 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide?
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-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 3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide is sourced from PubChem (CID 29277984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).