N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide

C13H11N3OS — CID 17060511

IUPACN-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C13H11N3OS/c1-8-4-10(7-18-8)13(17)15-11-2-3-12-9(5-11)6-14-16-12/h2-7H,1H3,(H,14,16)(H,15,17)
InChIKeyCKPSBTKOYZNYRO-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.19
Rot. Bonds2

About N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide

N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide (PubChem CID 17060511) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide
PubChem CID17060511
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]ncc3c2)cs1
InChIInChI=1S/C13H11N3OS/c1-8-4-10(7-18-8)13(17)15-11-2-3-12-9(5-11)6-14-16-12/h2-7H,1H3,(H,14,16)(H,15,17)
InChIKeyCKPSBTKOYZNYRO-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-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide (CID 17060511) is N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2ccc3[nH]ncc3c2)cs1.
What is the InChIKey of N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is CKPSBTKOYZNYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-4-10(7-18-8)13(17)15-11-2-3-12-9(5-11)6-14-16-12/h2-7H,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide?
N-(1H-indazol-5-yl)-5-methylthiophene-3-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-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 17060511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).