5-(propylamino)thiophene-2-carboxamide

C8H12N2OS — CID 18358969

IUPAC5-(propylamino)thiophene-2-carboxamide
SMILESCCCNc1ccc(C(N)=O)s1
InChIInChI=1S/C8H12N2OS/c1-2-5-10-7-4-3-6(12-7)8(9)11/h3-4,10H,2,5H2,1H3,(H2,9,11)
InChIKeyXERPLSNPYBVRDC-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.67
Rot. Bonds4

About 5-(propylamino)thiophene-2-carboxamide

5-(propylamino)thiophene-2-carboxamide (PubChem CID 18358969) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-(propylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(propylamino)thiophene-2-carboxamide
PubChem CID18358969
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-(propylamino)thiophene-2-carboxamide
SMILESCCCNc1ccc(C(N)=O)s1
InChIInChI=1S/C8H12N2OS/c1-2-5-10-7-4-3-6(12-7)8(9)11/h3-4,10H,2,5H2,1H3,(H2,9,11)
InChIKeyXERPLSNPYBVRDC-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)thiophene-2-carboxamide?
The IUPAC name of 5-(propylamino)thiophene-2-carboxamide (CID 18358969) is 5-(propylamino)thiophene-2-carboxamide.
What is the SMILES notation for 5-(propylamino)thiophene-2-carboxamide?
The canonical SMILES for 5-(propylamino)thiophene-2-carboxamide is CCCNc1ccc(C(N)=O)s1.
What is the InChIKey of 5-(propylamino)thiophene-2-carboxamide?
The InChIKey is XERPLSNPYBVRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-5-10-7-4-3-6(12-7)8(9)11/h3-4,10H,2,5H2,1H3,(H2,9,11).
What are the key properties of 5-(propylamino)thiophene-2-carboxamide?
5-(propylamino)thiophene-2-carboxamide has a molecular weight of 184.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)thiophene-2-carboxamide is sourced from PubChem (CID 18358969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).