2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C11H13ClN2OS2 — CID 105087426

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS2/c1-6(2)10-11(17-14-13-10)8(15)5-7-3-4-9(12)16-7/h3-4,6,8,15H,5H2,1-2H3
InChIKeyYTXAUBIXSBYGLI-UHFFFAOYSA-N
MW288.82 g/mol
LogP3.65
Rot. Bonds4

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

2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105087426) has the molecular formula C11H13ClN2OS2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105087426
Molecular FormulaC11H13ClN2OS2
Molecular Weight288.82 g/mol
Exact Mass288.02
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCC(C)c1nnsc1C(O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H13ClN2OS2/c1-6(2)10-11(17-14-13-10)8(15)5-7-3-4-9(12)16-7/h3-4,6,8,15H,5H2,1-2H3
InChIKeyYTXAUBIXSBYGLI-UHFFFAOYSA-N
XLogP3.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086779
2-(3,4-difluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105121858
2-(5-chlorothiophen-2-yl)-1-pyrimidin-2-ylethanol
CID 62607085
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105125386
2-(5-chlorothiophen-2-yl)-1-(3-methoxythiophen-2-yl)ethanol
CID 115786008
2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105107127
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118
1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethanol
CID 62607206
2-(5-chlorothiophen-2-yl)-1-(2-ethylphenyl)ethanol
CID 65150095
1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105087426) is 2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is CC(C)c1nnsc1C(O)Cc1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is YTXAUBIXSBYGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2OS2/c1-6(2)10-11(17-14-13-10)8(15)5-7-3-4-9(12)16-7/h3-4,6,8,15H,5H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 288.82 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105087426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).