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

C7H11N3OS — CID 131086579

IUPAC5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CC2CCOC2)n1
InChIInChI=1S/C7H11N3OS/c8-7-9-6(12-10-7)3-5-1-2-11-4-5/h5H,1-4H2,(H2,8,10)
InChIKeyQNIDONRQHPGKMH-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.70
Rot. Bonds2

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

5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine (PubChem CID 131086579) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine
PubChem CID131086579
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(CC2CCOC2)n1
InChIInChI=1S/C7H11N3OS/c8-7-9-6(12-10-7)3-5-1-2-11-4-5/h5H,1-4H2,(H2,8,10)
InChIKeyQNIDONRQHPGKMH-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Oxan-4-yl)-1,2,4-thiadiazol-3-amine
CID 64545484
5-(Oxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64536795
5-(Oxan-3-yl)-1,2,4-thiadiazol-3-amine
CID 64544060
5-(Oxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 64544463
5-(2,4,5-Trimethyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 65159399
5-(2-Methyloxolan-3-yl)-1,2,4-thiadiazol-3-amine
CID 79763828
5-(2-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 80173192
5-(3-Methoxy-2-methylpropyl)-1,2,4-thiadiazol-3-amine
CID 80356120
5-(3-Methyloxolan-2-yl)-1,2,4-thiadiazol-3-amine
CID 81576418
5-Bromo-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazole
CID 102618075
5-Iodo-3-(oxolan-3-ylmethyl)-1,2,4-thiadiazole
CID 102618537
3-Iodo-5-(2-methyloxolan-3-yl)-1,2,4-thiadiazole
CID 102943691

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine (CID 131086579) is 5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine is Nc1nsc(CC2CCOC2)n1.
What is the InChIKey of 5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is QNIDONRQHPGKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c8-7-9-6(12-10-7)3-5-1-2-11-4-5/h5H,1-4H2,(H2,8,10).
What are the key properties of 5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine?
5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 185.25 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylmethyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 131086579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).