2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol

C12H12ClNO2S — CID 94279929

IUPAC2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
SMILESOCCc1csc(COc2ccccc2Cl)n1
InChIInChI=1S/C12H12ClNO2S/c13-10-3-1-2-4-11(10)16-7-12-14-9(5-6-15)8-17-12/h1-4,8,15H,5-7H2
InChIKeyUUPNSRYVPSPRFF-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.91
Rot. Bonds5

About 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol

2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol (PubChem CID 94279929) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
PubChem CID94279929
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
SMILESOCCc1csc(COc2ccccc2Cl)n1
InChIInChI=1S/C12H12ClNO2S/c13-10-3-1-2-4-11(10)16-7-12-14-9(5-6-15)8-17-12/h1-4,8,15H,5-7H2
InChIKeyUUPNSRYVPSPRFF-UHFFFAOYSA-N
XLogP2.91
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(2-chlorophenoxy)propyl]-1,3-thiazol-4-yl]methanol
CID 82154477
2-[2-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 94280933
N-butan-2-yl-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003169
2-[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]acetic acid
CID 4980659
[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82298972
[2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 78880755
[2-chloro-6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 114318303
1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193855
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 28918170
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
2-(2-ethyl-1,3-thiazol-4-yl)ethanol
CID 55264368
[2-[(2-chlorophenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82429066

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol (CID 94279929) is 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol is OCCc1csc(COc2ccccc2Cl)n1.
What is the InChIKey of 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol?
The InChIKey is UUPNSRYVPSPRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c13-10-3-1-2-4-11(10)16-7-12-14-9(5-6-15)8-17-12/h1-4,8,15H,5-7H2.
What are the key properties of 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol?
2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol has a molecular weight of 269.75 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 94279929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).