N-(1-aminoethyl)thiophene-3-carboxamide

C7H10N2OS — CID 173053680

IUPACN-(1-aminoethyl)thiophene-3-carboxamide
SMILESCC(N)NC(=O)c1ccsc1
InChIInChI=1S/C7H10N2OS/c1-5(8)9-7(10)6-2-3-11-4-6/h2-5H,8H2,1H3,(H,9,10)
InChIKeyHQKYCUVLWXKWDE-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.78
Rot. Bonds2

About N-(1-aminoethyl)thiophene-3-carboxamide

N-(1-aminoethyl)thiophene-3-carboxamide (PubChem CID 173053680) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-(1-aminoethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethyl)thiophene-3-carboxamide
PubChem CID173053680
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-(1-aminoethyl)thiophene-3-carboxamide
SMILESCC(N)NC(=O)c1ccsc1
InChIInChI=1S/C7H10N2OS/c1-5(8)9-7(10)6-2-3-11-4-6/h2-5H,8H2,1H3,(H,9,10)
InChIKeyHQKYCUVLWXKWDE-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)thiophene-3-carboxamide?
The IUPAC name of N-(1-aminoethyl)thiophene-3-carboxamide (CID 173053680) is N-(1-aminoethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(1-aminoethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(1-aminoethyl)thiophene-3-carboxamide is CC(N)NC(=O)c1ccsc1.
What is the InChIKey of N-(1-aminoethyl)thiophene-3-carboxamide?
The InChIKey is HQKYCUVLWXKWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(8)9-7(10)6-2-3-11-4-6/h2-5H,8H2,1H3,(H,9,10).
What are the key properties of N-(1-aminoethyl)thiophene-3-carboxamide?
N-(1-aminoethyl)thiophene-3-carboxamide has a molecular weight of 170.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)thiophene-3-carboxamide is sourced from PubChem (CID 173053680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).