1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol

C14H16Cl2N2OS — CID 105086800

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2OS/c1-14(2,3)13-12(20-18-17-13)11(19)6-8-4-5-9(15)7-10(8)16/h4-5,7,11,19H,6H2,1-3H3
InChIKeyOOVXJXKCOAUSEU-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.42
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol

1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol (PubChem CID 105086800) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
PubChem CID105086800
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol
SMILESCC(C)(C)c1nnsc1C(O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2OS/c1-14(2,3)13-12(20-18-17-13)11(19)6-8-4-5-9(15)7-10(8)16/h4-5,7,11,19H,6H2,1-3H3
InChIKeyOOVXJXKCOAUSEU-UHFFFAOYSA-N
XLogP4.42
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086779
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-difluorophenyl)ethanol
CID 105081122
2-(4-bromo-2-chlorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105181669
[1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethyl]hydrazine
CID 105295283
(4-tert-butylthiadiazol-5-yl)-(4-chloro-2-fluorophenyl)methanol
CID 105119916
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
CID 115785100
2-(4-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanol
CID 105132974
1-(4-tert-butylthiadiazol-5-yl)-2-(2-chlorophenyl)ethanamine
CID 105096256
2-(2-chloro-4-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086930
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296898

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol (CID 105086800) is 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol is CC(C)(C)c1nnsc1C(O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol?
The InChIKey is OOVXJXKCOAUSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c1-14(2,3)13-12(20-18-17-13)11(19)6-8-4-5-9(15)7-10(8)16/h4-5,7,11,19H,6H2,1-3H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol?
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol has a molecular weight of 331.27 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 105086800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).