N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide

C13H11N3OS — CID 123632210

IUPACN-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
SMILESCc1[nH]nc2ccc(NC(=O)c3cccs3)cc12
InChIInChI=1S/C13H11N3OS/c1-8-10-7-9(4-5-11(10)16-15-8)14-13(17)12-3-2-6-18-12/h2-7H,1H3,(H,14,17)(H,15,16)
InChIKeyGUCRHXITCJKACM-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.19
Rot. Bonds2

About N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide

N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide (PubChem CID 123632210) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
PubChem CID123632210
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
SMILESCc1[nH]nc2ccc(NC(=O)c3cccs3)cc12
InChIInChI=1S/C13H11N3OS/c1-8-10-7-9(4-5-11(10)16-15-8)14-13(17)12-3-2-6-18-12/h2-7H,1H3,(H,14,17)(H,15,16)
InChIKeyGUCRHXITCJKACM-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide (CID 123632210) is N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide is Cc1[nH]nc2ccc(NC(=O)c3cccs3)cc12.
What is the InChIKey of N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide?
The InChIKey is GUCRHXITCJKACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-10-7-9(4-5-11(10)16-15-8)14-13(17)12-3-2-6-18-12/h2-7H,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide?
N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 123632210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).