4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole

C18H17NS — CID 155185709

IUPAC4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
SMILESCc1ccc(CCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H17NS/c1-14-7-9-15(10-8-14)11-12-17-13-20-18(19-17)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyPBPGTMLNIWZPRL-UHFFFAOYSA-N
MW279.41 g/mol
LogP4.90
Rot. Bonds4

About 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole

4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole (PubChem CID 155185709) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
PubChem CID155185709
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
SMILESCc1ccc(CCc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H17NS/c1-14-7-9-15(10-8-14)11-12-17-13-20-18(19-17)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
InChIKeyPBPGTMLNIWZPRL-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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Related Compounds

2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
ethane;4-ethyl-2-phenyl-1,3-thiazole
CID 91427044
4-ethyl-2-phenyl-1,3-thiazole;dihydrochloride
CID 118514483
2-methyl-4-(2-phenyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888515
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421
2-[[1-carboxy-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]amino]-4-phenylbutanoic acid
CID 23572949
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628
ethane;4-[4-(2-iodoethyl)phenyl]-2-phenyl-1,3-thiazole
CID 54249717
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 6467576
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole?
The IUPAC name of 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole (CID 155185709) is 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole is Cc1ccc(CCc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole?
The InChIKey is PBPGTMLNIWZPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-14-7-9-15(10-8-14)11-12-17-13-20-18(19-17)16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3.
What are the key properties of 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole?
4-[2-(4-methylphenyl)ethyl]-2-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 4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole is sourced from PubChem (CID 155185709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).