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

C12H12ClNO2S — CID 80692917

IUPAC[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(Oc2nc(Cl)c(CO)s2)c(C)c1
InChIInChI=1S/C12H12ClNO2S/c1-7-3-4-9(8(2)5-7)16-12-14-11(13)10(6-15)17-12/h3-5,15H,6H2,1-2H3
InChIKeyRHABIBXHEFAHFF-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.70
Rot. Bonds3

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

[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol (PubChem CID 80692917) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is [4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol
PubChem CID80692917
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol
SMILESCc1ccc(Oc2nc(Cl)c(CO)s2)c(C)c1
InChIInChI=1S/C12H12ClNO2S/c1-7-3-4-9(8(2)5-7)16-12-14-11(13)10(6-15)17-12/h3-5,15H,6H2,1-2H3
InChIKeyRHABIBXHEFAHFF-UHFFFAOYSA-N
XLogP3.70
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol (CID 80692917) is [4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol is Cc1ccc(Oc2nc(Cl)c(CO)s2)c(C)c1.
What is the InChIKey of [4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol?
The InChIKey is RHABIBXHEFAHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-7-3-4-9(8(2)5-7)16-12-14-11(13)10(6-15)17-12/h3-5,15H,6H2,1-2H3.
What are the key properties of [4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol has a molecular weight of 269.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2,4-dimethylphenoxy)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).