2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole

C17H11NS — CID 135307699

IUPAC2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole
SMILESC#Cc1ncc(-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H11NS/c1-2-17-18-12-16(19-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h1,3-12H
InChIKeyHVHOZCOBQCCPCL-UHFFFAOYSA-N
MW261.35 g/mol
LogP4.46
Rot. Bonds2

About 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole

2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole (PubChem CID 135307699) has the molecular formula C17H11NS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole
PubChem CID135307699
Molecular FormulaC17H11NS
Molecular Weight261.35 g/mol
Exact Mass261.06
IUPAC Name2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole
SMILESC#Cc1ncc(-c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H11NS/c1-2-17-18-12-16(19-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h1,3-12H
InChIKeyHVHOZCOBQCCPCL-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole?
The IUPAC name of 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole (CID 135307699) is 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole?
The canonical SMILES for 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole is C#Cc1ncc(-c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole?
The InChIKey is HVHOZCOBQCCPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NS/c1-2-17-18-12-16(19-17)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h1,3-12H.
What are the key properties of 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole?
2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole has a molecular weight of 261.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-5-(4-phenylphenyl)-1,3-thiazole is sourced from PubChem (CID 135307699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).