2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide

C17H16N6O2S2 — CID 66767996

IUPAC2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide
SMILESCc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccncc3)cc2s1
InChIInChI=1S/C17H16N6O2S2/c1-10-15(16(18)23-22-10)17-21-13-3-2-12(8-14(13)26-17)27(24,25)20-9-11-4-6-19-7-5-11/h2-8,20H,9H2,1H3,(H3,18,22,23)
InChIKeyBPOYLASJFDENBE-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.45
Rot. Bonds5

About 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide

2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide (PubChem CID 66767996) has the molecular formula C17H16N6O2S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide
PubChem CID66767996
Molecular FormulaC17H16N6O2S2
Molecular Weight400.49 g/mol
Exact Mass400.08
IUPAC Name2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide
SMILESCc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccncc3)cc2s1
InChIInChI=1S/C17H16N6O2S2/c1-10-15(16(18)23-22-10)17-21-13-3-2-12(8-14(13)26-17)27(24,25)20-9-11-4-6-19-7-5-11/h2-8,20H,9H2,1H3,(H3,18,22,23)
InChIKeyBPOYLASJFDENBE-UHFFFAOYSA-N
XLogP2.45
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide 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

US8754233, 2-(3-Amino-1H-pyrazol-4-yl)-5-fluoro-benzothiazole-6-sulfonic acid amide
CID 66768275
N4-(4-(benzo[d]thiazol-2-yl)phenyl)-N2-(5-methyl-1H-pyrazol-3-yl)pyridine-2,4-diamine
CID 44564747
2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-5-fluoro-benzothiazole-6-sulfonic acid amide
CID 9949286
2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (2-methoxyethyl)-amide
CID 66767944
2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid [2-(3H-imidazol-4-yl)-ethyl]-amide
CID 66767945
2-(5-Amino-3-methyl-1H-pyrazol-4-yl)benzothiazole-6-sulfonic acid phenethylamide
CID 66767947
2-(5-Amino-3-methyl-1H-pyrazol-4-yl)benzothiazole-6-sulfonic acid benzylamide
CID 66767949
2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (2-dimethylamino-ethyl)-amide
CID 66767954
2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid cyclopropylmethylamide
CID 66767989
2-(5-Amino-3-methyl-1H-pyrazol-4-YL)-benzothiazole-6-sulfonic acid (2-hydroxyethyl)-amide
CID 66767999
US8754233, 3-{[2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazol-6-ylmethyl]-amino}-benzenesulfonamide
CID 66768000
4-Benzothiazol-2-YL-5-piperidin-4-YL-2H-pyrazol-3-ylamine
CID 66768006

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide (CID 66767996) is 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide is Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCc3ccncc3)cc2s1.
What is the InChIKey of 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide?
The InChIKey is BPOYLASJFDENBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S2/c1-10-15(16(18)23-22-10)17-21-13-3-2-12(8-14(13)26-17)27(24,25)20-9-11-4-6-19-7-5-11/h2-8,20H,9H2,1H3,(H3,18,22,23).
What are the key properties of 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide?
2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide has a molecular weight of 400.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methyl-1H-pyrazol-4-yl)-N-(pyridin-4-ylmethyl)-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 66767996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).