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

C7H11N3OS — CID 65159398

IUPAC5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CC2CCCO2)n1
InChIInChI=1S/C7H11N3OS/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h5H,1-4H2,(H2,8,10)
InChIKeyRBHFXGHQMMGIBB-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.84
Rot. Bonds2

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

5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine (PubChem CID 65159398) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine
PubChem CID65159398
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CC2CCCO2)n1
InChIInChI=1S/C7H11N3OS/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h5H,1-4H2,(H2,8,10)
InChIKeyRBHFXGHQMMGIBB-UHFFFAOYSA-N
XLogP0.84
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681350
5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 65159319
3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
CID 3671758
2-(oxolan-2-ylmethyl)pyrimidin-5-amine
CID 43142229
[4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 114362103
[2-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81174268
2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976472
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 61265926
3-(chloromethyl)-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 65155797
3-(oxolan-2-ylmethyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268927
N-[[4-methyl-2-(oxolan-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62404257
1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 175908437

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine (CID 65159398) is 5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine is Nc1nsc(CC2CCCO2)n1.
What is the InChIKey of 5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is RBHFXGHQMMGIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-7-9-6(12-10-7)4-5-2-1-3-11-5/h5H,1-4H2,(H2,8,10).
What are the key properties of 5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine?
5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 185.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 65159398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).