4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine

C17H12N2S3 — CID 71085790

IUPAC4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccc(-c3cccs3)s2)nc1-c1ccccc1
InChIInChI=1S/C17H12N2S3/c18-16-15(11-5-2-1-3-6-11)19-17(22-16)14-9-8-13(21-14)12-7-4-10-20-12/h1-10H,18H2
InChIKeyYDFXBFNRFLGFCT-UHFFFAOYSA-N
MW340.50 g/mol
LogP5.85
Rot. Bonds3

About 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine

4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine (PubChem CID 71085790) has the molecular formula C17H12N2S3 and a molecular weight of 340.50 g/mol. Its IUPAC name is 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine
PubChem CID71085790
Molecular FormulaC17H12N2S3
Molecular Weight340.50 g/mol
Exact Mass340.02
IUPAC Name4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccc(-c3cccs3)s2)nc1-c1ccccc1
InChIInChI=1S/C17H12N2S3/c18-16-15(11-5-2-1-3-6-11)19-17(22-16)14-9-8-13(21-14)12-7-4-10-20-12/h1-10H,18H2
InChIKeyYDFXBFNRFLGFCT-UHFFFAOYSA-N
XLogP5.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.50
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine?
The IUPAC name of 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine (CID 71085790) is 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine is Nc1sc(-c2ccc(-c3cccs3)s2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine?
The InChIKey is YDFXBFNRFLGFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2S3/c18-16-15(11-5-2-1-3-6-11)19-17(22-16)14-9-8-13(21-14)12-7-4-10-20-12/h1-10H,18H2.
What are the key properties of 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine?
4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine has a molecular weight of 340.50 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 71085790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).