2-naphthalen-2-yl-5-phenyl-1,3-thiazole

C19H13NS — CID 90384723

IUPAC2-naphthalen-2-yl-5-phenyl-1,3-thiazole
SMILESc1ccc(-c2cnc(-c3ccc4ccccc4c3)s2)cc1
InChIInChI=1S/C19H13NS/c1-2-7-15(8-3-1)18-13-20-19(21-18)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H
InChIKeyWCHCKEMTWVCMOL-UHFFFAOYSA-N
MW287.39 g/mol
LogP5.63
Rot. Bonds2

About 2-naphthalen-2-yl-5-phenyl-1,3-thiazole

2-naphthalen-2-yl-5-phenyl-1,3-thiazole (PubChem CID 90384723) has the molecular formula C19H13NS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-5-phenyl-1,3-thiazole
PubChem CID90384723
Molecular FormulaC19H13NS
Molecular Weight287.39 g/mol
Exact Mass287.08
IUPAC Name2-naphthalen-2-yl-5-phenyl-1,3-thiazole
SMILESc1ccc(-c2cnc(-c3ccc4ccccc4c3)s2)cc1
InChIInChI=1S/C19H13NS/c1-2-7-15(8-3-1)18-13-20-19(21-18)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H
InChIKeyWCHCKEMTWVCMOL-UHFFFAOYSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.39
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-5-phenyl-1,3-thiazole?
The IUPAC name of 2-naphthalen-2-yl-5-phenyl-1,3-thiazole (CID 90384723) is 2-naphthalen-2-yl-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-naphthalen-2-yl-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-naphthalen-2-yl-5-phenyl-1,3-thiazole is c1ccc(-c2cnc(-c3ccc4ccccc4c3)s2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-5-phenyl-1,3-thiazole?
The InChIKey is WCHCKEMTWVCMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NS/c1-2-7-15(8-3-1)18-13-20-19(21-18)17-11-10-14-6-4-5-9-16(14)12-17/h1-13H.
What are the key properties of 2-naphthalen-2-yl-5-phenyl-1,3-thiazole?
2-naphthalen-2-yl-5-phenyl-1,3-thiazole has a molecular weight of 287.39 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-5-phenyl-1,3-thiazole is sourced from PubChem (CID 90384723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).