1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol

C8H7ClN2OS2 — CID 130624243

IUPAC1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1csnn1)c1ccsc1Cl
InChIInChI=1S/C8H7ClN2OS2/c9-8-6(1-2-13-8)7(12)3-5-4-14-11-10-5/h1-2,4,7,12H,3H2
InChIKeyHKPIOTOMSKLMSE-UHFFFAOYSA-N
MW246.74 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol

1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol (PubChem CID 130624243) has the molecular formula C8H7ClN2OS2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol
PubChem CID130624243
Molecular FormulaC8H7ClN2OS2
Molecular Weight246.74 g/mol
Exact Mass245.97
IUPAC Name1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol
SMILESOC(Cc1csnn1)c1ccsc1Cl
InChIInChI=1S/C8H7ClN2OS2/c9-8-6(1-2-13-8)7(12)3-5-4-14-11-10-5/h1-2,4,7,12H,3H2
InChIKeyHKPIOTOMSKLMSE-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-4-yl)ethanol
CID 105087424
1-(4-Methylthiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089461
1-(Thiadiazol-4-yl)-2-thiophen-3-ylethanol
CID 105089497
1-(4-Propan-2-ylthiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089500
1-(4-Ethylthiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089501
1-(4-Propylthiadiazol-5-yl)-2-thiophen-3-ylethanol
CID 105089522
(4-Methylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102691
(4-Propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102715
(4-Ethylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102716
(4-Propylthiadiazol-5-yl)-thiophen-3-ylmethanol
CID 105102738
(5-Chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol
CID 105119736
(3-Chlorothiophen-2-yl)-(thiadiazol-4-yl)methanol
CID 107361972

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol?
The IUPAC name of 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol (CID 130624243) is 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol?
The canonical SMILES for 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol is OC(Cc1csnn1)c1ccsc1Cl.
What is the InChIKey of 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol?
The InChIKey is HKPIOTOMSKLMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2OS2/c9-8-6(1-2-13-8)7(12)3-5-4-14-11-10-5/h1-2,4,7,12H,3H2.
What are the key properties of 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol?
1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-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 1-(2-chlorothiophen-3-yl)-2-(thiadiazol-4-yl)ethanol is sourced from PubChem (CID 130624243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).