N-(2-thiophen-2-ylphenyl)thian-4-amine

C15H17NS2 — CID 43724571

IUPACN-(2-thiophen-2-ylphenyl)thian-4-amine
SMILESc1csc(-c2ccccc2NC2CCSCC2)c1
InChIInChI=1S/C15H17NS2/c1-2-5-14(16-12-7-10-17-11-8-12)13(4-1)15-6-3-9-18-15/h1-6,9,12,16H,7-8,10-11H2
InChIKeyMNPCZJUDHOJMMO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.72
Rot. Bonds3

About N-(2-thiophen-2-ylphenyl)thian-4-amine

N-(2-thiophen-2-ylphenyl)thian-4-amine (PubChem CID 43724571) has the molecular formula C15H17NS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-thiophen-2-ylphenyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-thiophen-2-ylphenyl)thian-4-amine
PubChem CID43724571
Molecular FormulaC15H17NS2
Molecular Weight275.44 g/mol
Exact Mass275.08
IUPAC NameN-(2-thiophen-2-ylphenyl)thian-4-amine
SMILESc1csc(-c2ccccc2NC2CCSCC2)c1
InChIInChI=1S/C15H17NS2/c1-2-5-14(16-12-7-10-17-11-8-12)13(4-1)15-6-3-9-18-15/h1-6,9,12,16H,7-8,10-11H2
InChIKeyMNPCZJUDHOJMMO-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylphenyl)thian-4-amine?
The IUPAC name of N-(2-thiophen-2-ylphenyl)thian-4-amine (CID 43724571) is N-(2-thiophen-2-ylphenyl)thian-4-amine.
What is the SMILES notation for N-(2-thiophen-2-ylphenyl)thian-4-amine?
The canonical SMILES for N-(2-thiophen-2-ylphenyl)thian-4-amine is c1csc(-c2ccccc2NC2CCSCC2)c1.
What is the InChIKey of N-(2-thiophen-2-ylphenyl)thian-4-amine?
The InChIKey is MNPCZJUDHOJMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NS2/c1-2-5-14(16-12-7-10-17-11-8-12)13(4-1)15-6-3-9-18-15/h1-6,9,12,16H,7-8,10-11H2.
What are the key properties of N-(2-thiophen-2-ylphenyl)thian-4-amine?
N-(2-thiophen-2-ylphenyl)thian-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylphenyl)thian-4-amine is sourced from PubChem (CID 43724571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).