2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole

C13H11N3S — CID 14742545

IUPAC2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(Cc3cnc[nH]3)n2)cc1
InChIInChI=1S/C13H11N3S/c1-2-4-10(5-3-1)12-8-17-13(16-12)6-11-7-14-9-15-11/h1-5,7-9H,6H2,(H,14,15)
InChIKeyTVRYIDIUBFYXFE-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.12
Rot. Bonds3

About 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole

2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole (PubChem CID 14742545) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole
PubChem CID14742545
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole
SMILESc1ccc(-c2csc(Cc3cnc[nH]3)n2)cc1
InChIInChI=1S/C13H11N3S/c1-2-4-10(5-3-1)12-8-17-13(16-12)6-11-7-14-9-15-11/h1-5,7-9H,6H2,(H,14,15)
InChIKeyTVRYIDIUBFYXFE-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole?
The IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole (CID 14742545) is 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole is c1ccc(-c2csc(Cc3cnc[nH]3)n2)cc1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole?
The InChIKey is TVRYIDIUBFYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-2-4-10(5-3-1)12-8-17-13(16-12)6-11-7-14-9-15-11/h1-5,7-9H,6H2,(H,14,15).
What are the key properties of 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole?
2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole has a molecular weight of 241.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethyl)-4-phenyl-1,3-thiazole is sourced from PubChem (CID 14742545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).