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

C5H8N2O2S — CID 90400215

IUPAC1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
SMILESCc1nc(C(O)CO)ns1
InChIInChI=1S/C5H8N2O2S/c1-3-6-5(7-10-3)4(9)2-8/h4,8-9H,2H2,1H3
InChIKeyJDVUIHQGHPXRKC-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.13
Rot. Bonds2

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

1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol (PubChem CID 90400215) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
PubChem CID90400215
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
SMILESCc1nc(C(O)CO)ns1
InChIInChI=1S/C5H8N2O2S/c1-3-6-5(7-10-3)4(9)2-8/h4,8-9H,2H2,1H3
InChIKeyJDVUIHQGHPXRKC-UHFFFAOYSA-N
XLogP-0.13
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.13
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
(3R,4S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 75435506
1-(3-Methyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3,4-diol
CID 106673242
(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-Propan-2-yl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 90398015
(1S)-1-(5-amino-1,2,4-thiadiazol-3-yl)ethane-1,2-diol
CID 118451831
1-(5-Amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino-lambda4-sulfanylidene)ethane-1,2-diol
CID 175256286
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
The IUPAC name of 1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol (CID 90400215) is 1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
The canonical SMILES for 1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol is Cc1nc(C(O)CO)ns1.
What is the InChIKey of 1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
The InChIKey is JDVUIHQGHPXRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-3-6-5(7-10-3)4(9)2-8/h4,8-9H,2H2,1H3.
What are the key properties of 1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol?
1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol has a molecular weight of 160.20 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-thiadiazol-3-yl)ethane-1,2-diol is sourced from PubChem (CID 90400215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).