3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine

C11H20N4OS — CID 66196295

IUPAC3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1nc(C(C)C)ns1
InChIInChI=1S/C11H20N4OS/c1-4-16-8-5-7(12)9(8)13-11-14-10(6(2)3)15-17-11/h6-9H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyVNABSDZTLJCRDM-UHFFFAOYSA-N
MW256.38 g/mol
LogP1.58
Rot. Bonds5

About 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine

3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine (PubChem CID 66196295) has the molecular formula C11H20N4OS and a molecular weight of 256.38 g/mol. Its IUPAC name is 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine
PubChem CID66196295
Molecular FormulaC11H20N4OS
Molecular Weight256.38 g/mol
Exact Mass256.14
IUPAC Name3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1nc(C(C)C)ns1
InChIInChI=1S/C11H20N4OS/c1-4-16-8-5-7(12)9(8)13-11-14-10(6(2)3)15-17-11/h6-9H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyVNABSDZTLJCRDM-UHFFFAOYSA-N
XLogP1.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine (CID 66196295) is 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine is CCOC1CC(N)C1Nc1nc(C(C)C)ns1.
What is the InChIKey of 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine?
The InChIKey is VNABSDZTLJCRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-16-8-5-7(12)9(8)13-11-14-10(6(2)3)15-17-11/h6-9H,4-5,12H2,1-3H3,(H,13,14,15).
What are the key properties of 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine?
3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine has a molecular weight of 256.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)cyclobutane-1,2-diamine is sourced from PubChem (CID 66196295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).