3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

C11H12N2OS2 — CID 61090030

IUPAC3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCCc1cccs1
InChIInChI=1S/C11H12N2OS2/c12-9-4-7-16-10(9)11(14)13-5-3-8-2-1-6-15-8/h1-2,4,6-7H,3,5,12H2,(H,13,14)
InChIKeyAFDXTMNMHVIRCN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.36
Rot. Bonds4

About 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide

3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (PubChem CID 61090030) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
PubChem CID61090030
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)NCCc1cccs1
InChIInChI=1S/C11H12N2OS2/c12-9-4-7-16-10(9)11(14)13-5-3-8-2-1-6-15-8/h1-2,4,6-7H,3,5,12H2,(H,13,14)
InChIKeyAFDXTMNMHVIRCN-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide (CID 61090030) is 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is Nc1ccsc1C(=O)NCCc1cccs1.
What is the InChIKey of 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
The InChIKey is AFDXTMNMHVIRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c12-9-4-7-16-10(9)11(14)13-5-3-8-2-1-6-15-8/h1-2,4,6-7H,3,5,12H2,(H,13,14).
What are the key properties of 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide?
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61090030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).