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

C12H13NOS — CID 54593015

IUPAC1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(-c2ccccc2)sc1C(C)O
InChIInChI=1S/C12H13NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h3-7,9,14H,1-2H3
InChIKeyTWMPDBIPOIJWGA-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.17
Rot. Bonds2

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

1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol (PubChem CID 54593015) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol
PubChem CID54593015
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(-c2ccccc2)sc1C(C)O
InChIInChI=1S/C12H13NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h3-7,9,14H,1-2H3
InChIKeyTWMPDBIPOIJWGA-UHFFFAOYSA-N
XLogP3.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol (CID 54593015) is 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol is Cc1nc(-c2ccccc2)sc1C(C)O.
What is the InChIKey of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is TWMPDBIPOIJWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-11(9(2)14)15-12(13-8)10-6-4-3-5-7-10/h3-7,9,14H,1-2H3.
What are the key properties of 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol?
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 219.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 54593015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).