3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine

C7H11N3OS2 — CID 3671758

IUPAC3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(SCC2CCCO2)ns1
InChIInChI=1S/C7H11N3OS2/c8-6-9-7(10-13-6)12-4-5-2-1-3-11-5/h5H,1-4H2,(H2,8,9,10)
InChIKeyUCGLOOMHSXNHAM-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.39
Rot. Bonds3

About 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine

3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine (PubChem CID 3671758) has the molecular formula C7H11N3OS2 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
PubChem CID3671758
Molecular FormulaC7H11N3OS2
Molecular Weight217.32 g/mol
Exact Mass217.03
IUPAC Name3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(SCC2CCCO2)ns1
InChIInChI=1S/C7H11N3OS2/c8-6-9-7(10-13-6)12-4-5-2-1-3-11-5/h5H,1-4H2,(H2,8,9,10)
InChIKeyUCGLOOMHSXNHAM-UHFFFAOYSA-N
XLogP1.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 4257341
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
4-(oxolan-2-ylmethylsulfanyl)-6-propoxy-1,3,5-triazin-2-amine
CID 106497876
4-(oxolan-2-ylmethylsulfanyl)aniline
CID 43299447
3-[[(2R)-oxolan-2-yl]methylsulfanyl]pyrazin-2-amine
CID 130831521
2-(oxan-2-ylmethylsulfanyl)-1,3-benzothiazol-6-amine
CID 61357492
4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106494848
5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine
CID 65159398
4-hydrazinyl-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106498020
5-bromo-6-(oxolan-2-ylmethylsulfanyl)pyridin-3-amine
CID 106494015
4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106497760

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine (CID 3671758) is 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine is Nc1nc(SCC2CCCO2)ns1.
What is the InChIKey of 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UCGLOOMHSXNHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS2/c8-6-9-7(10-13-6)12-4-5-2-1-3-11-5/h5H,1-4H2,(H2,8,9,10).
What are the key properties of 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine?
3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 217.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 3671758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).