2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol

C8H7ClN2OS2 — CID 131071043

IUPAC2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1csc(Cl)c1)c1cnns1
InChIInChI=1S/C8H7ClN2OS2/c9-8-2-5(4-13-8)1-6(12)7-3-10-11-14-7/h2-4,6,12H,1H2
InChIKeyAOCIXMPKSGJBHL-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.53
Rot. Bonds3

About 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol

2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol (PubChem CID 131071043) has the molecular formula C8H7ClN2OS2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
PubChem CID131071043
Molecular FormulaC8H7ClN2OS2
Molecular Weight246.74 g/mol
Exact Mass245.97
IUPAC Name2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
SMILESOC(Cc1csc(Cl)c1)c1cnns1
InChIInChI=1S/C8H7ClN2OS2/c9-8-2-5(4-13-8)1-6(12)7-3-10-11-14-7/h2-4,6,12H,1H2
InChIKeyAOCIXMPKSGJBHL-UHFFFAOYSA-N
XLogP2.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105087440
1-(Thiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089517
1-(Thiadiazol-5-yl)-3-thiophen-3-ylpropan-1-ol
CID 105097893
Thiadiazol-5-yl(thiophen-3-yl)methanol
CID 105102732
(5-Methylthiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 105103914
(3-Methylthiophen-2-yl)-(thiadiazol-5-yl)methanol
CID 105113018
(5-Chlorothiophen-2-yl)-(thiadiazol-5-yl)methanol
CID 105119760
(3-Chlorothiophen-2-yl)-(thiadiazol-5-yl)methanol
CID 107361981
2-(3-Chlorothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 130534849
2-(5-Methylthiophen-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 130558670
2-(5-Chlorothiophen-3-yl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 130671723
(2-Chlorothiophen-3-yl)-(thiadiazol-5-yl)methanol
CID 130744369

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol (CID 131071043) is 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol is OC(Cc1csc(Cl)c1)c1cnns1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol?
The InChIKey is AOCIXMPKSGJBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS2/c9-8-2-5(4-13-8)1-6(12)7-3-10-11-14-7/h2-4,6,12H,1H2.
What are the key properties of 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol?
2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol has a molecular weight of 246.74 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-3-yl)-1-(thiadiazol-5-yl)ethanol is sourced from PubChem (CID 131071043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).