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

C10H17N3OS — CID 107647717

IUPACN-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCOC1CC(Nc2nnc(CC)s2)C1
InChIInChI=1S/C10H17N3OS/c1-3-9-12-13-10(15-9)11-7-5-8(6-7)14-4-2/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyXTYGGPAVDAOGKC-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.08
Rot. Bonds5

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

N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647717) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647717
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCOC1CC(Nc2nnc(CC)s2)C1
InChIInChI=1S/C10H17N3OS/c1-3-9-12-13-10(15-9)11-7-5-8(6-7)14-4-2/h7-8H,3-6H2,1-2H3,(H,11,13)
InChIKeyXTYGGPAVDAOGKC-UHFFFAOYSA-N
XLogP2.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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 N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647717) is N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine is CCOC1CC(Nc2nnc(CC)s2)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XTYGGPAVDAOGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-9-12-13-10(15-9)11-7-5-8(6-7)14-4-2/h7-8H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine?
N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 227.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).