N-(thiolan-3-yl)-1H-indazole-3-carboxamide

C12H13N3OS — CID 103708716

IUPACN-(thiolan-3-yl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCSC1)c1n[nH]c2ccccc12
InChIInChI=1S/C12H13N3OS/c16-12(13-8-5-6-17-7-8)11-9-3-1-2-4-10(9)14-15-11/h1-4,8H,5-7H2,(H,13,16)(H,14,15)
InChIKeyWJNUJWQXEWYJLY-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.80
Rot. Bonds2

About N-(thiolan-3-yl)-1H-indazole-3-carboxamide

N-(thiolan-3-yl)-1H-indazole-3-carboxamide (PubChem CID 103708716) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(thiolan-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(thiolan-3-yl)-1H-indazole-3-carboxamide
PubChem CID103708716
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(thiolan-3-yl)-1H-indazole-3-carboxamide
SMILESO=C(NC1CCSC1)c1n[nH]c2ccccc12
InChIInChI=1S/C12H13N3OS/c16-12(13-8-5-6-17-7-8)11-9-3-1-2-4-10(9)14-15-11/h1-4,8H,5-7H2,(H,13,16)(H,14,15)
InChIKeyWJNUJWQXEWYJLY-UHFFFAOYSA-N
XLogP1.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10108057
N-(oxan-3-yl)-1H-indazole-3-carboxamide
CID 63611564
N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 51110170
N'-(cyclopropanecarbonyl)-1H-indazole-3-carbohydrazide
CID 26799017
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
N-(3-ethylcyclohexyl)-1H-indazole-3-carboxamide
CID 64982870
N-(1-benzylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 10568741
N-(1-methyl-2-methylidenepiperidin-4-yl)-1H-indazole-3-carboxamide
CID 89010317
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
CID 93452695
ethyl 4-(1H-indazole-3-carbonylamino)piperidine-1-carboxylate
CID 42477818
N'-(cyclohexanecarbonyl)-1H-indazole-3-carbohydrazide
CID 4787464

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(thiolan-3-yl)-1H-indazole-3-carboxamide (CID 103708716) is N-(thiolan-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(thiolan-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(thiolan-3-yl)-1H-indazole-3-carboxamide is O=C(NC1CCSC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(thiolan-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is WJNUJWQXEWYJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c16-12(13-8-5-6-17-7-8)11-9-3-1-2-4-10(9)14-15-11/h1-4,8H,5-7H2,(H,13,16)(H,14,15).
What are the key properties of N-(thiolan-3-yl)-1H-indazole-3-carboxamide?
N-(thiolan-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 103708716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).