6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine

C13H11N3O2S2 — CID 87562294

IUPAC6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCS(=O)(=O)c1cncc(-c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C13H11N3O2S2/c1-20(17,18)10-4-9(6-15-7-10)8-2-3-11-12(5-8)19-13(14)16-11/h2-7H,1H3,(H2,14,16)
InChIKeyKCZKGYFLHBVLMU-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.34
Rot. Bonds2

About 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine

6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 87562294) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID87562294
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCS(=O)(=O)c1cncc(-c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C13H11N3O2S2/c1-20(17,18)10-4-9(6-15-7-10)8-2-3-11-12(5-8)19-13(14)16-11/h2-7H,1H3,(H2,14,16)
InChIKeyKCZKGYFLHBVLMU-UHFFFAOYSA-N
XLogP2.34
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine 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

5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
CID 5458748
4-(1,3-Benzothiazol-6-yl)pyridine-2,6-diamine
CID 166636171
N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide
CID 670301
6-Phenylbenzo[d]thiazol-2-amine
CID 5109813
1-Ethyl-3-[6-[5-(trifluoromethyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]urea
CID 44466962
3-(Benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phenyl)pyrazin-2-amine
CID 52937665
3-(2-Methyl-1,3-benzothiazol-5-yl)-5-(4-methylsulfonylphenyl)pyridin-2-amine
CID 53311485
6-(Pyridin-4-yl)benzo[d]thiazol-2-amine
CID 53318615
N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 56682067
n-(6-(4-Methyl-3-pyridinyl)-1,3-benzothiazol-2-yl)acetamide
CID 57584941

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 87562294) is 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine is CS(=O)(=O)c1cncc(-c2ccc3nc(N)sc3c2)c1.
What is the InChIKey of 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is KCZKGYFLHBVLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-20(17,18)10-4-9(6-15-7-10)8-2-3-11-12(5-8)19-13(14)16-11/h2-7H,1H3,(H2,14,16).
What are the key properties of 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine?
6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 305.38 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylsulfonyl-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87562294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).