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

C16H12N4S2 — CID 10336387

IUPAC1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine
SMILESNc1nc(-c2ccsc2)cn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12N4S2/c17-15-18-13(12-6-7-21-9-12)8-20(15)16-19-14(10-22-16)11-4-2-1-3-5-11/h1-10H,(H2,17,18)
InChIKeyAYLHYLAUEUBIPX-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.31
Rot. Bonds3

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

1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine (PubChem CID 10336387) has the molecular formula C16H12N4S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine
PubChem CID10336387
Molecular FormulaC16H12N4S2
Molecular Weight324.43 g/mol
Exact Mass324.05
IUPAC Name1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine
SMILESNc1nc(-c2ccsc2)cn1-c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H12N4S2/c17-15-18-13(12-6-7-21-9-12)8-20(15)16-19-14(10-22-16)11-4-2-1-3-5-11/h1-10H,(H2,17,18)
InChIKeyAYLHYLAUEUBIPX-UHFFFAOYSA-N
XLogP4.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine?
The IUPAC name of 1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine (CID 10336387) is 1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine.
What is the SMILES notation for 1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine?
The canonical SMILES for 1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine is Nc1nc(-c2ccsc2)cn1-c1nc(-c2ccccc2)cs1.
What is the InChIKey of 1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine?
The InChIKey is AYLHYLAUEUBIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S2/c17-15-18-13(12-6-7-21-9-12)8-20(15)16-19-14(10-22-16)11-4-2-1-3-5-11/h1-10H,(H2,17,18).
What are the key properties of 1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine?
1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine has a molecular weight of 324.43 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,3-thiazol-2-yl)-4-thiophen-3-ylimidazol-2-amine is sourced from PubChem (CID 10336387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).