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

C10H17N3OS — CID 107647956

IUPAC5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCC(C)O2)s1
InChIInChI=1S/C10H17N3OS/c1-3-9-12-13-10(15-9)11-6-8-5-4-7(2)14-8/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyWTMLOGMSMOLXKK-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.08
Rot. Bonds4

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

5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107647956) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID107647956
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NCC2CCC(C)O2)s1
InChIInChI=1S/C10H17N3OS/c1-3-9-12-13-10(15-9)11-6-8-5-4-7(2)14-8/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyWTMLOGMSMOLXKK-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 107647956) is 5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine is CCc1nnc(NCC2CCC(C)O2)s1.
What is the InChIKey of 5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is WTMLOGMSMOLXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-9-12-13-10(15-9)11-6-8-5-4-7(2)14-8/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 227.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(5-methyloxolan-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).