4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C13H12N2S2 — CID 66349772

IUPAC4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(C2CSC(Nc3ccsc3)=N2)cc1
InChIInChI=1S/C13H12N2S2/c1-2-4-10(5-3-1)12-9-17-13(15-12)14-11-6-7-16-8-11/h1-8,12H,9H2,(H,14,15)
InChIKeyORPCQPAPIYKPEI-UHFFFAOYSA-N
MW260.39 g/mol
LogP4.00
Rot. Bonds2

About 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine

4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 66349772) has the molecular formula C13H12N2S2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID66349772
Molecular FormulaC13H12N2S2
Molecular Weight260.39 g/mol
Exact Mass260.04
IUPAC Name4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESc1ccc(C2CSC(Nc3ccsc3)=N2)cc1
InChIInChI=1S/C13H12N2S2/c1-2-4-10(5-3-1)12-9-17-13(15-12)14-11-6-7-16-8-11/h1-8,12H,9H2,(H,14,15)
InChIKeyORPCQPAPIYKPEI-UHFFFAOYSA-N
XLogP4.00
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 66349772) is 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine is c1ccc(C2CSC(Nc3ccsc3)=N2)cc1.
What is the InChIKey of 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ORPCQPAPIYKPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S2/c1-2-4-10(5-3-1)12-9-17-13(15-12)14-11-6-7-16-8-11/h1-8,12H,9H2,(H,14,15).
What are the key properties of 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-thiophen-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 66349772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).