3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine

C9H15N3OS — CID 66196099

IUPAC3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1nccs1
InChIInChI=1S/C9H15N3OS/c1-2-13-7-5-6(10)8(7)12-9-11-3-4-14-9/h3-4,6-8H,2,5,10H2,1H3,(H,11,12)
InChIKeyZZTYGDRFGSPZME-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.06
Rot. Bonds4

About 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine

3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine (PubChem CID 66196099) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine.

Molecular Properties

Compound Name3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine
PubChem CID66196099
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine
SMILESCCOC1CC(N)C1Nc1nccs1
InChIInChI=1S/C9H15N3OS/c1-2-13-7-5-6(10)8(7)12-9-11-3-4-14-9/h3-4,6-8H,2,5,10H2,1H3,(H,11,12)
InChIKeyZZTYGDRFGSPZME-UHFFFAOYSA-N
XLogP1.06
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine?
The IUPAC name of 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine (CID 66196099) is 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine.
What is the SMILES notation for 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine?
The canonical SMILES for 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine is CCOC1CC(N)C1Nc1nccs1.
What is the InChIKey of 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine?
The InChIKey is ZZTYGDRFGSPZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-2-13-7-5-6(10)8(7)12-9-11-3-4-14-9/h3-4,6-8H,2,5,10H2,1H3,(H,11,12).
What are the key properties of 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine?
3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine has a molecular weight of 213.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-N-(1,3-thiazol-2-yl)cyclobutane-1,2-diamine is sourced from PubChem (CID 66196099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).