N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C9H15N3OS — CID 80713985

IUPACN-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCOC2)n1
InChIInChI=1S/C9H15N3OS/c1-6(2)8-11-9(14-12-8)10-7-3-4-13-5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyIMQOCNZTZMONNJ-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.86
Rot. Bonds3

About N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 80713985) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID80713985
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CCOC2)n1
InChIInChI=1S/C9H15N3OS/c1-6(2)8-11-9(14-12-8)10-7-3-4-13-5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyIMQOCNZTZMONNJ-UHFFFAOYSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 80713985) is N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NC2CCOC2)n1.
What is the InChIKey of N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is IMQOCNZTZMONNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6(2)8-11-9(14-12-8)10-7-3-4-13-5-7/h6-7H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 213.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 80713985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).