2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole

C18H17NS — CID 174868608

IUPAC2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(CCc3ccccc3)cc2)cs1
InChIInChI=1S/C18H17NS/c1-14-19-18(13-20-14)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
InChIKeyGYPWOBJAJMHPKO-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.90
Rot. Bonds4

About 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole

2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole (PubChem CID 174868608) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
PubChem CID174868608
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole
SMILESCc1nc(-c2ccc(CCc3ccccc3)cc2)cs1
InChIInChI=1S/C18H17NS/c1-14-19-18(13-20-14)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
InChIKeyGYPWOBJAJMHPKO-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole (CID 174868608) is 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole is Cc1nc(-c2ccc(CCc3ccccc3)cc2)cs1.
What is the InChIKey of 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole?
The InChIKey is GYPWOBJAJMHPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-14-19-18(13-20-14)17-11-9-16(10-12-17)8-7-15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3.
What are the key properties of 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole?
2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole has a molecular weight of 279.41 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-phenylethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 174868608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).