1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol

C7H12N2O2S — CID 90398015

IUPAC1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
SMILESCC(C)c1nc(C(O)CO)ns1
InChIInChI=1S/C7H12N2O2S/c1-4(2)7-8-6(9-12-7)5(11)3-10/h4-5,10-11H,3H2,1-2H3
InChIKeyMEQTYRZFNJSORX-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.69
Rot. Bonds3

About 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol

1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol (PubChem CID 90398015) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
PubChem CID90398015
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
SMILESCC(C)c1nc(C(O)CO)ns1
InChIInChI=1S/C7H12N2O2S/c1-4(2)7-8-6(9-12-7)5(11)3-10/h4-5,10-11H,3H2,1-2H3
InChIKeyMEQTYRZFNJSORX-UHFFFAOYSA-N
XLogP0.69
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-(Propan-2-yl)-1,2,4-thiadiazol-5-yl)methanol
CID 17832025
(3-Ethyl-1,2,4-thiadiazol-5-yl)methanol
CID 67257370
(3-Tert-butyl-1,2,4-thiadiazol-5-yl)methanol
CID 57736333
2-(3-Methyl-1,2,4-thiadiazol-5-yl)ethanol
CID 83674191
1-(5-Methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90400215
(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 118451831
1-Methoxy-3-(3-methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65273410
1-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65273469
1-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273531
3-(3-Methyl-1,2,4-thiadiazol-5-yl)butan-2-ol
CID 65273533
2-(3-Ethyl-1,2,4-thiadiazol-5-yl)-3-hydroxypropanenitrile
CID 65277324
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)propan-2-ol
CID 65279888

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
The IUPAC name of 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol (CID 90398015) is 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol is CC(C)c1nc(C(O)CO)ns1.
What is the InChIKey of 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
The InChIKey is MEQTYRZFNJSORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-4(2)7-8-6(9-12-7)5(11)3-10/h4-5,10-11H,3H2,1-2H3.
What are the key properties of 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol has a molecular weight of 188.25 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol is sourced from PubChem (CID 90398015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).