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

C12H13NOS — CID 54670925

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol
SMILESCc1ncsc1C(CO)c1ccccc1
InChIInChI=1S/C12H13NOS/c1-9-12(15-8-13-9)11(7-14)10-5-3-2-4-6-10/h2-6,8,11,14H,7H2,1H3
InChIKeyFBJUBSLSSWBUMH-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.58
Rot. Bonds3

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

2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol (PubChem CID 54670925) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol
PubChem CID54670925
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol
SMILESCc1ncsc1C(CO)c1ccccc1
InChIInChI=1S/C12H13NOS/c1-9-12(15-8-13-9)11(7-14)10-5-3-2-4-6-10/h2-6,8,11,14H,7H2,1H3
InChIKeyFBJUBSLSSWBUMH-UHFFFAOYSA-N
XLogP2.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol (CID 54670925) is 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol is Cc1ncsc1C(CO)c1ccccc1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol?
The InChIKey is FBJUBSLSSWBUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-9-12(15-8-13-9)11(7-14)10-5-3-2-4-6-10/h2-6,8,11,14H,7H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol?
2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol has a molecular weight of 219.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-2-phenylethanol is sourced from PubChem (CID 54670925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).