1-(5-chlorothiophen-2-yl)propan-1-amine

C7H10ClNS — CID 17249036

IUPAC1-(5-chlorothiophen-2-yl)propan-1-amine
SMILESCCC(N)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-2-5(9)6-3-4-7(8)10-6/h3-5H,2,9H2,1H3
InChIKeyCQHFAMGIJTYXRN-UHFFFAOYSA-N
MW175.68 g/mol
LogP2.81
Rot. Bonds2

About 1-(5-chlorothiophen-2-yl)propan-1-amine

1-(5-chlorothiophen-2-yl)propan-1-amine (PubChem CID 17249036) has the molecular formula C7H10ClNS and a molecular weight of 175.68 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)propan-1-amine
PubChem CID17249036
Molecular FormulaC7H10ClNS
Molecular Weight175.68 g/mol
Exact Mass175.02
IUPAC Name1-(5-chlorothiophen-2-yl)propan-1-amine
SMILESCCC(N)c1ccc(Cl)s1
InChIInChI=1S/C7H10ClNS/c1-2-5(9)6-3-4-7(8)10-6/h3-5H,2,9H2,1H3
InChIKeyCQHFAMGIJTYXRN-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.68
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chlorothiophen-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)propan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)propan-1-amine (CID 17249036) is 1-(5-chlorothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)propan-1-amine is CCC(N)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)propan-1-amine?
The InChIKey is CQHFAMGIJTYXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS/c1-2-5(9)6-3-4-7(8)10-6/h3-5H,2,9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)propan-1-amine?
1-(5-chlorothiophen-2-yl)propan-1-amine has a molecular weight of 175.68 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 17249036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).