2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol

C6H7N5O2S — CID 104633150

IUPAC2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2csnn2)n1
InChIInChI=1S/C6H7N5O2S/c7-3(1-12)5-8-6(13-10-5)4-2-14-11-9-4/h2-3,12H,1,7H2
InChIKeyRZCDHKHPLJJDGH-UHFFFAOYSA-N
MW213.22 g/mol
LogP-0.42
Rot. Bonds3

About 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol

2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633150) has the molecular formula C6H7N5O2S and a molecular weight of 213.22 g/mol. Its IUPAC name is 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633150
Molecular FormulaC6H7N5O2S
Molecular Weight213.22 g/mol
Exact Mass213.03
IUPAC Name2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2csnn2)n1
InChIInChI=1S/C6H7N5O2S/c7-3(1-12)5-8-6(13-10-5)4-2-14-11-9-4/h2-3,12H,1,7H2
InChIKeyRZCDHKHPLJJDGH-UHFFFAOYSA-N
XLogP-0.42
TPSA110.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1-chloroethyl)-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 102661119
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633216
2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633231
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
3-methyl-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 130781126
3-chloro-5-(thiadiazol-4-yl)-1,2,4-oxadiazole
CID 112571871
2-amino-2-[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435331
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
2-amino-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633410
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412
2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435353

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633150) is 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(-c2csnn2)n1.
What is the InChIKey of 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is RZCDHKHPLJJDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2S/c7-3(1-12)5-8-6(13-10-5)4-2-14-11-9-4/h2-3,12H,1,7H2.
What are the key properties of 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 213.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).