[2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol

C12H12ClNO2S — CID 131866698

IUPAC[2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCCOc1ccccc1-c1nc(Cl)sc1CO
InChIInChI=1S/C12H12ClNO2S/c1-2-16-9-6-4-3-5-8(9)11-10(7-15)17-12(13)14-11/h3-6,15H,2,7H2,1H3
InChIKeyASRFSPWQACCUPZ-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.35
Rot. Bonds4

About [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol

[2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 131866698) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID131866698
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name[2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCCOc1ccccc1-c1nc(Cl)sc1CO
InChIInChI=1S/C12H12ClNO2S/c1-2-16-9-6-4-3-5-8(9)11-10(7-15)17-12(13)14-11/h3-6,15H,2,7H2,1H3
InChIKeyASRFSPWQACCUPZ-UHFFFAOYSA-N
XLogP3.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol (CID 131866698) is [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol is CCOc1ccccc1-c1nc(Cl)sc1CO.
What is the InChIKey of [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is ASRFSPWQACCUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-2-16-9-6-4-3-5-8(9)11-10(7-15)17-12(13)14-11/h3-6,15H,2,7H2,1H3.
What are the key properties of [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol?
[2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 269.75 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(2-ethoxyphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 131866698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).