[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol

C13H15NOS — CID 82044101

IUPAC[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCCc1ccc(-c2nc(C)c(CO)s2)cc1
InChIInChI=1S/C13H15NOS/c1-3-10-4-6-11(7-5-10)13-14-9(2)12(8-15)16-13/h4-7,15H,3,8H2,1-2H3
InChIKeyRDBCLKRGKRYGAM-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.17
Rot. Bonds3

About [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol

[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 82044101) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID82044101
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCCc1ccc(-c2nc(C)c(CO)s2)cc1
InChIInChI=1S/C13H15NOS/c1-3-10-4-6-11(7-5-10)13-14-9(2)12(8-15)16-13/h4-7,15H,3,8H2,1-2H3
InChIKeyRDBCLKRGKRYGAM-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol (CID 82044101) is [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol is CCc1ccc(-c2nc(C)c(CO)s2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is RDBCLKRGKRYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-3-10-4-6-11(7-5-10)13-14-9(2)12(8-15)16-13/h4-7,15H,3,8H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol?
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 233.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82044101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).