5-phenyl-3-(2-phenylethyl)-1,2-thiazole

C17H15NS — CID 11777645

IUPAC5-phenyl-3-(2-phenylethyl)-1,2-thiazole
SMILESc1ccc(CCc2cc(-c3ccccc3)sn2)cc1
InChIInChI=1S/C17H15NS/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyAKHQSDHCVBKXEC-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.60
Rot. Bonds4

About 5-phenyl-3-(2-phenylethyl)-1,2-thiazole

5-phenyl-3-(2-phenylethyl)-1,2-thiazole (PubChem CID 11777645) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 5-phenyl-3-(2-phenylethyl)-1,2-thiazole.

Molecular Properties

Compound Name5-phenyl-3-(2-phenylethyl)-1,2-thiazole
PubChem CID11777645
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name5-phenyl-3-(2-phenylethyl)-1,2-thiazole
SMILESc1ccc(CCc2cc(-c3ccccc3)sn2)cc1
InChIInChI=1S/C17H15NS/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyAKHQSDHCVBKXEC-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5-phenyl-1,2-thiazole
CID 600269
3-Phenyl-1,2-thiazol-5-amine
CID 12603879
5,5'-Diphenyl-3,3'-diisothiazole disulfide
CID 167252
3-Phenyl-1,2-benzisothiazole
CID 337917
(3-Phenyl-1,2-thiazol-5-yl)methanamine
CID 65814892
5-[(4-Benzylpiperazin-1-yl)-phenylmethyl]-3-methyl-1,2-thiazole
CID 44457854
3-Phenylisothiazole
CID 595044
3,5-Diphenyl-1,2-thiazole
CID 12234748
4-Cyano-3-methyl-5-phenyl-isothiazol
CID 21820661
5-Fluoro-3-phenyl-1,2-benzothiazole
CID 132566226
3-Ethyl-5-phenyl-1,2-thiazole
CID 10035412
3,4,5-Triphenyl-1,2-thiazole
CID 13048461

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(2-phenylethyl)-1,2-thiazole?
The IUPAC name of 5-phenyl-3-(2-phenylethyl)-1,2-thiazole (CID 11777645) is 5-phenyl-3-(2-phenylethyl)-1,2-thiazole.
What is the SMILES notation for 5-phenyl-3-(2-phenylethyl)-1,2-thiazole?
The canonical SMILES for 5-phenyl-3-(2-phenylethyl)-1,2-thiazole is c1ccc(CCc2cc(-c3ccccc3)sn2)cc1.
What is the InChIKey of 5-phenyl-3-(2-phenylethyl)-1,2-thiazole?
The InChIKey is AKHQSDHCVBKXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-3-7-14(8-4-1)11-12-16-13-17(19-18-16)15-9-5-2-6-10-15/h1-10,13H,11-12H2.
What are the key properties of 5-phenyl-3-(2-phenylethyl)-1,2-thiazole?
5-phenyl-3-(2-phenylethyl)-1,2-thiazole has a molecular weight of 265.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(2-phenylethyl)-1,2-thiazole is sourced from PubChem (CID 11777645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).