2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C13H14Cl2N2OS — CID 105086779

IUPAC2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c1-7(2)12-13(19-17-16-12)11(18)5-8-3-4-9(14)6-10(8)15/h3-4,6-7,11,18H,5H2,1-2H3
InChIKeyPFKGGLPSFUPNCC-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.24
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105086779) has the molecular formula C13H14Cl2N2OS and a molecular weight of 317.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105086779
Molecular FormulaC13H14Cl2N2OS
Molecular Weight317.24 g/mol
Exact Mass316.02
IUPAC Name2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2OS/c1-7(2)12-13(19-17-16-12)11(18)5-8-3-4-9(14)6-10(8)15/h3-4,6-7,11,18H,5H2,1-2H3
InChIKeyPFKGGLPSFUPNCC-UHFFFAOYSA-N
XLogP4.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086930
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
CID 105086800
2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105121858
2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105087426
2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105088383
2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105132974
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(5-chloro-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105137302
1-(2,4-dichlorophenyl)-3-ethylpentan-2-ol
CID 65148381
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118
2-(2,4-dichlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanol
CID 115785074

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105086779) is 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is PFKGGLPSFUPNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2OS/c1-7(2)12-13(19-17-16-12)11(18)5-8-3-4-9(14)6-10(8)15/h3-4,6-7,11,18H,5H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 317.24 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105086779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).