N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C17H18N4O2S — CID 154839250

IUPACN-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCOc1cc2nc(C)sc2cc1NC(=O)C1CCCc2[nH]ncc21
InChIInChI=1S/C17H18N4O2S/c1-9-19-14-6-15(23-2)13(7-16(14)24-9)20-17(22)10-4-3-5-12-11(10)8-18-21-12/h6-8,10H,3-5H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyXTFDTMBHEINAER-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.40
Rot. Bonds3

About N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 154839250) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID154839250
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCOc1cc2nc(C)sc2cc1NC(=O)C1CCCc2[nH]ncc21
InChIInChI=1S/C17H18N4O2S/c1-9-19-14-6-15(23-2)13(7-16(14)24-9)20-17(22)10-4-3-5-12-11(10)8-18-21-12/h6-8,10H,3-5H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyXTFDTMBHEINAER-UHFFFAOYSA-N
XLogP3.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-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

(3R)-3-hydroxy-N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 95601514
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
(4R)-N-(2-fluoro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 99782658
6-[(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)amino]-1-methylazepan-2-one
CID 166305663
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
5,6-dimethoxy-2-methyl-1,3-benzothiazole;hydrate
CID 51056765
N-[5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 155544476
methyl (2R)-2-(4-fluorophenyl)-3-[[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]amino]propanoate
CID 124624899
tert-butyl N-(2-cyclohexyl-5-methoxy-1,3-benzothiazol-6-yl)carbamate
CID 164568151
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440
N-(2-methoxy-5-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611784
(4R)-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 97010653

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 154839250) is N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is COc1cc2nc(C)sc2cc1NC(=O)C1CCCc2[nH]ncc21.
What is the InChIKey of N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is XTFDTMBHEINAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-9-19-14-6-15(23-2)13(7-16(14)24-9)20-17(22)10-4-3-5-12-11(10)8-18-21-12/h6-8,10H,3-5H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 154839250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).