5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine

C9H15N3OS — CID 107647863

IUPAC5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCOC2C)s1
InChIInChI=1S/C9H15N3OS/c1-3-8-11-12-9(14-8)10-7-4-5-13-6(7)2/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyUSIIMAZBFGCFRA-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.69
Rot. Bonds3

About 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine

5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 107647863) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID107647863
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC2CCOC2C)s1
InChIInChI=1S/C9H15N3OS/c1-3-8-11-12-9(14-8)10-7-4-5-13-6(7)2/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyUSIIMAZBFGCFRA-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine (CID 107647863) is 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine is CCc1nnc(NC2CCOC2C)s1.
What is the InChIKey of 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is USIIMAZBFGCFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-8-11-12-9(14-8)10-7-4-5-13-6(7)2/h6-7H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine?
5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 213.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-methyloxolan-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).