2-(4-aminothiophen-2-yl)indole-1-carboxamide

C13H11N3OS — CID 121254619

IUPAC2-(4-aminothiophen-2-yl)indole-1-carboxamide
SMILESNC(=O)n1c(-c2cc(N)cs2)cc2ccccc21
InChIInChI=1S/C13H11N3OS/c14-9-6-12(18-7-9)11-5-8-3-1-2-4-10(8)16(11)13(15)17/h1-7H,14H2,(H2,15,17)
InChIKeyOQCZICSJHNEOJB-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.88
Rot. Bonds1

About 2-(4-aminothiophen-2-yl)indole-1-carboxamide

2-(4-aminothiophen-2-yl)indole-1-carboxamide (PubChem CID 121254619) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(4-aminothiophen-2-yl)indole-1-carboxamide.

Molecular Properties

Compound Name2-(4-aminothiophen-2-yl)indole-1-carboxamide
PubChem CID121254619
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-(4-aminothiophen-2-yl)indole-1-carboxamide
SMILESNC(=O)n1c(-c2cc(N)cs2)cc2ccccc21
InChIInChI=1S/C13H11N3OS/c14-9-6-12(18-7-9)11-5-8-3-1-2-4-10(8)16(11)13(15)17/h1-7H,14H2,(H2,15,17)
InChIKeyOQCZICSJHNEOJB-UHFFFAOYSA-N
XLogP2.88
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothiophen-2-yl)indole-1-carboxamide?
The IUPAC name of 2-(4-aminothiophen-2-yl)indole-1-carboxamide (CID 121254619) is 2-(4-aminothiophen-2-yl)indole-1-carboxamide.
What is the SMILES notation for 2-(4-aminothiophen-2-yl)indole-1-carboxamide?
The canonical SMILES for 2-(4-aminothiophen-2-yl)indole-1-carboxamide is NC(=O)n1c(-c2cc(N)cs2)cc2ccccc21.
What is the InChIKey of 2-(4-aminothiophen-2-yl)indole-1-carboxamide?
The InChIKey is OQCZICSJHNEOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-9-6-12(18-7-9)11-5-8-3-1-2-4-10(8)16(11)13(15)17/h1-7H,14H2,(H2,15,17).
What are the key properties of 2-(4-aminothiophen-2-yl)indole-1-carboxamide?
2-(4-aminothiophen-2-yl)indole-1-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothiophen-2-yl)indole-1-carboxamide is sourced from PubChem (CID 121254619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).