1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol

C12H13NO2S — CID 79823536

IUPAC1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCOc1cccc(C(O)Cc2nccs2)c1
InChIInChI=1S/C12H13NO2S/c1-15-10-4-2-3-9(7-10)11(14)8-12-13-5-6-16-12/h2-7,11,14H,8H2,1H3
InChIKeyNAPMEMWVUNRNNU-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.43
Rot. Bonds4

About 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol

1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 79823536) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID79823536
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCOc1cccc(C(O)Cc2nccs2)c1
InChIInChI=1S/C12H13NO2S/c1-15-10-4-2-3-9(7-10)11(14)8-12-13-5-6-16-12/h2-7,11,14H,8H2,1H3
InChIKeyNAPMEMWVUNRNNU-UHFFFAOYSA-N
XLogP2.43
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79020836
1-[3-(methoxymethyl)phenyl]-2-(1,3-thiazol-2-yl)ethanol
CID 79823661
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
2-(1,3-thiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 79824982
1-(3-methoxyphenyl)-2-[1-(1,3-thiazol-2-yl)propylamino]ethanol
CID 81134144
2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol
CID 61080490
1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 106756289
1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 115506143
1-(2-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115288
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
3-[2-hydroxy-2-(3-methoxyphenyl)ethoxy]thiophene-2-carboxylic acid
CID 81134733

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol (CID 79823536) is 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol is COc1cccc(C(O)Cc2nccs2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is NAPMEMWVUNRNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-15-10-4-2-3-9(7-10)11(14)8-12-13-5-6-16-12/h2-7,11,14H,8H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol?
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 235.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 79823536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).