N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide

C15H19N3O2S — CID 126820255

IUPACN-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide
SMILESCc1[nH]nc2ccc(C(=O)NC3(CO)CCSCC3)cc12
InChIInChI=1S/C15H19N3O2S/c1-10-12-8-11(2-3-13(12)18-17-10)14(20)16-15(9-19)4-6-21-7-5-15/h2-3,8,19H,4-7,9H2,1H3,(H,16,20)(H,17,18)
InChIKeyCRQWPNQGJAYXCO-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.86
Rot. Bonds3

About N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide

N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide (PubChem CID 126820255) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide
PubChem CID126820255
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide
SMILESCc1[nH]nc2ccc(C(=O)NC3(CO)CCSCC3)cc12
InChIInChI=1S/C15H19N3O2S/c1-10-12-8-11(2-3-13(12)18-17-10)14(20)16-15(9-19)4-6-21-7-5-15/h2-3,8,19H,4-7,9H2,1H3,(H,16,20)(H,17,18)
InChIKeyCRQWPNQGJAYXCO-UHFFFAOYSA-N
XLogP1.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-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

N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589
N-[1-(hydroxymethyl)cyclobutyl]-2H-benzotriazole-5-carboxamide
CID 115878496
3-iodo-N-[1-[(2-methylphenyl)methyl]cyclopropyl]-2H-indazole-5-carboxamide
CID 86710892
N-[1-(hydroxymethyl)cyclopropyl]-3,4-dimethylbenzamide
CID 115764896
2-methyl-1-(3-methyl-2H-indazol-5-yl)propan-1-one
CID 59765588
4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzamide
CID 115877703
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-2H-indazole-5-carboxamide
CID 10084500
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
N-[4-(hydroxymethyl)thian-4-yl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-7-carboxamide
CID 126840622
N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119568411
4-fluoro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878206
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide (CID 126820255) is N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide is Cc1[nH]nc2ccc(C(=O)NC3(CO)CCSCC3)cc12.
What is the InChIKey of N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide?
The InChIKey is CRQWPNQGJAYXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-12-8-11(2-3-13(12)18-17-10)14(20)16-15(9-19)4-6-21-7-5-15/h2-3,8,19H,4-7,9H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide?
N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)thian-4-yl]-3-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 126820255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).