4-methyl-2-(2-phenylethyl)-1,3-thiazole

C12H13NS — CID 24977523

IUPAC4-methyl-2-(2-phenylethyl)-1,3-thiazole
SMILESCc1csc(CCc2ccccc2)n1
InChIInChI=1S/C12H13NS/c1-10-9-14-12(13-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyLSTPKENFPDFBJR-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.24
Rot. Bonds3

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

4-methyl-2-(2-phenylethyl)-1,3-thiazole (PubChem CID 24977523) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 4-methyl-2-(2-phenylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(2-phenylethyl)-1,3-thiazole
PubChem CID24977523
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name4-methyl-2-(2-phenylethyl)-1,3-thiazole
SMILESCc1csc(CCc2ccccc2)n1
InChIInChI=1S/C12H13NS/c1-10-9-14-12(13-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyLSTPKENFPDFBJR-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-phenylethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(2-phenylethyl)-1,3-thiazole (CID 24977523) is 4-methyl-2-(2-phenylethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(2-phenylethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(2-phenylethyl)-1,3-thiazole is Cc1csc(CCc2ccccc2)n1.
What is the InChIKey of 4-methyl-2-(2-phenylethyl)-1,3-thiazole?
The InChIKey is LSTPKENFPDFBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-10-9-14-12(13-10)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 4-methyl-2-(2-phenylethyl)-1,3-thiazole?
4-methyl-2-(2-phenylethyl)-1,3-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-phenylethyl)-1,3-thiazole is sourced from PubChem (CID 24977523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).