2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol

C13H15NOS — CID 83292082

IUPAC2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(Cc2ccccc2)sc1CCO
InChIInChI=1S/C13H15NOS/c1-10-12(7-8-15)16-13(14-10)9-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3
InChIKeyCTILWSYBOVXULK-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.58
Rot. Bonds4

About 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol

2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 83292082) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID83292082
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(Cc2ccccc2)sc1CCO
InChIInChI=1S/C13H15NOS/c1-10-12(7-8-15)16-13(14-10)9-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3
InChIKeyCTILWSYBOVXULK-UHFFFAOYSA-N
XLogP2.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(2-carboxyethyl)-4-methyl-1,3-thiazol-2-yl]methyl]benzoic acid
CID 82155097
3-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]propanoic acid
CID 94761129
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110372288
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbutanamide
CID 110645528
2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile
CID 82668899
2-benzyl-5-propyl-1,3-thiazole-4-carboxylic acid
CID 117098907
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
2-[2-(4-tert-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 82093697
5-(chloromethyl)-4-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazole
CID 59823745
[4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62551037
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-[4-methyl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82094233

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol (CID 83292082) is 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol is Cc1nc(Cc2ccccc2)sc1CCO.
What is the InChIKey of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is CTILWSYBOVXULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-12(7-8-15)16-13(14-10)9-11-5-3-2-4-6-11/h2-6,15H,7-9H2,1H3.
What are the key properties of 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol?
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 233.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 83292082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).