3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine

C10H17N3OS — CID 65274329

IUPAC3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCOCC2)n1
InChIInChI=1S/C10H17N3OS/c1-2-9-12-10(15-13-9)11-7-8-3-5-14-6-4-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyQXLNXJVNSJWMJH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.94
Rot. Bonds4

About 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274329) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65274329
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2CCOCC2)n1
InChIInChI=1S/C10H17N3OS/c1-2-9-12-10(15-13-9)11-7-8-3-5-14-6-4-8/h8H,2-7H2,1H3,(H,11,12,13)
InChIKeyQXLNXJVNSJWMJH-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 62385373
N-[3-(cyclopropylmethoxy)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 72112104
3-methyl-N-[3-(oxan-4-yloxy)propyl]-1,2,4-thiadiazol-5-amine
CID 136528519
N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105809769
N-[(4-methyloxan-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105897481
N-(oxan-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304954
3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 126857109
5-(piperazin-1-yl)-3-(tetrahydro-2H-pyran-4-yl)-1,2,4-thiadiazole
CID 71259253
3-(Oxan-4-yl)-5-propan-2-yl-1,2,4-thiadiazole
CID 90398013
3-methyl-N-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267446
3-methyl-N-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65267466
3-butan-2-yl-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 65267473

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine (CID 65274329) is 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2CCOCC2)n1.
What is the InChIKey of 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QXLNXJVNSJWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-2-9-12-10(15-13-9)11-7-8-3-5-14-6-4-8/h8H,2-7H2,1H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 227.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(oxan-4-ylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).