N-(4-chloro-3-fluorophenyl)thian-4-amine

C11H13ClFNS — CID 43721636

IUPACN-(4-chloro-3-fluorophenyl)thian-4-amine
SMILESFc1cc(NC2CCSCC2)ccc1Cl
InChIInChI=1S/C11H13ClFNS/c12-10-2-1-9(7-11(10)13)14-8-3-5-15-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyGXPJXVFQHCMISJ-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.79
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)thian-4-amine

N-(4-chloro-3-fluorophenyl)thian-4-amine (PubChem CID 43721636) has the molecular formula C11H13ClFNS and a molecular weight of 245.75 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)thian-4-amine.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)thian-4-amine
PubChem CID43721636
Molecular FormulaC11H13ClFNS
Molecular Weight245.75 g/mol
Exact Mass245.04
IUPAC NameN-(4-chloro-3-fluorophenyl)thian-4-amine
SMILESFc1cc(NC2CCSCC2)ccc1Cl
InChIInChI=1S/C11H13ClFNS/c12-10-2-1-9(7-11(10)13)14-8-3-5-15-6-4-8/h1-2,7-8,14H,3-6H2
InChIKeyGXPJXVFQHCMISJ-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chloro-3-fluorophenyl)thian-4-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 N-(4-chloro-3-fluorophenyl)thian-4-amine?
The IUPAC name of N-(4-chloro-3-fluorophenyl)thian-4-amine (CID 43721636) is N-(4-chloro-3-fluorophenyl)thian-4-amine.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)thian-4-amine?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)thian-4-amine is Fc1cc(NC2CCSCC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)thian-4-amine?
The InChIKey is GXPJXVFQHCMISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNS/c12-10-2-1-9(7-11(10)13)14-8-3-5-15-6-4-8/h1-2,7-8,14H,3-6H2.
What are the key properties of N-(4-chloro-3-fluorophenyl)thian-4-amine?
N-(4-chloro-3-fluorophenyl)thian-4-amine has a molecular weight of 245.75 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)thian-4-amine is sourced from PubChem (CID 43721636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).