1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol

C11H9Cl2NOS — CID 63524563

IUPAC1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C11H9Cl2NOS/c1-6(15)11-14-10(5-16-11)8-4-7(12)2-3-9(8)13/h2-6,15H,1H3
InChIKeyKOGMCJYETJIFBR-UHFFFAOYSA-N
MW274.17 g/mol
LogP4.17
Rot. Bonds2

About 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol

1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 63524563) has the molecular formula C11H9Cl2NOS and a molecular weight of 274.17 g/mol. Its IUPAC name is 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol
PubChem CID63524563
Molecular FormulaC11H9Cl2NOS
Molecular Weight274.17 g/mol
Exact Mass272.98
IUPAC Name1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol
SMILESCC(O)c1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C11H9Cl2NOS/c1-6(15)11-14-10(5-16-11)8-4-7(12)2-3-9(8)13/h2-6,15H,1H3
InChIKeyKOGMCJYETJIFBR-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol (CID 63524563) is 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol is CC(O)c1nc(-c2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is KOGMCJYETJIFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NOS/c1-6(15)11-14-10(5-16-11)8-4-7(12)2-3-9(8)13/h2-6,15H,1H3.
What are the key properties of 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol?
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 274.17 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 63524563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).