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

C13H15NOS — CID 104769434

IUPAC(3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCCc1cccc(C(O)c2nc(C)cs2)c1
InChIInChI=1S/C13H15NOS/c1-3-10-5-4-6-11(7-10)12(15)13-14-9(2)8-16-13/h4-8,12,15H,3H2,1-2H3
InChIKeyXGWJRBJHDZXJKZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.10
Rot. Bonds3

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

(3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol (PubChem CID 104769434) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is (3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol
PubChem CID104769434
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name(3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCCc1cccc(C(O)c2nc(C)cs2)c1
InChIInChI=1S/C13H15NOS/c1-3-10-5-4-6-11(7-10)12(15)13-14-9(2)8-16-13/h4-8,12,15H,3H2,1-2H3
InChIKeyXGWJRBJHDZXJKZ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol (CID 104769434) is (3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol is CCc1cccc(C(O)c2nc(C)cs2)c1.
What is the InChIKey of (3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol?
The InChIKey is XGWJRBJHDZXJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-3-10-5-4-6-11(7-10)12(15)13-14-9(2)8-16-13/h4-8,12,15H,3H2,1-2H3.
What are the key properties of (3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol?
(3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol has a molecular weight of 233.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 104769434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).