5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide

C13H16N4OS — CID 54944805

IUPAC5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccc(N)cc12)C1CCSC1
InChIInChI=1S/C13H16N4OS/c1-17(9-4-5-19-7-9)13(18)12-10-6-8(14)2-3-11(10)15-16-12/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyTTZQTVXLILBVDG-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.72
Rot. Bonds2

About 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide

5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide (PubChem CID 54944805) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide
PubChem CID54944805
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC Name5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide
SMILESCN(C(=O)c1n[nH]c2ccc(N)cc12)C1CCSC1
InChIInChI=1S/C13H16N4OS/c1-17(9-4-5-19-7-9)13(18)12-10-6-8(14)2-3-11(10)15-16-12/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,16)
InChIKeyTTZQTVXLILBVDG-UHFFFAOYSA-N
XLogP1.72
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide (CID 54944805) is 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide is CN(C(=O)c1n[nH]c2ccc(N)cc12)C1CCSC1.
What is the InChIKey of 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is TTZQTVXLILBVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-17(9-4-5-19-7-9)13(18)12-10-6-8(14)2-3-11(10)15-16-12/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide?
5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(thiolan-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 54944805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).