1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine

C15H24N2OS — CID 106823162

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)C)(c2nc3c(s2)CCC3)C1
InChIInChI=1S/C15H24N2OS/c1-4-18-11-8-15(9-11,17-10(2)3)14-16-12-6-5-7-13(12)19-14/h10-11,17H,4-9H2,1-3H3
InChIKeyUDLPVVOWTDLJCG-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.02
Rot. Bonds5

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine (PubChem CID 106823162) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine
PubChem CID106823162
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine
SMILESCCOC1CC(NC(C)C)(c2nc3c(s2)CCC3)C1
InChIInChI=1S/C15H24N2OS/c1-4-18-11-8-15(9-11,17-10(2)3)14-16-12-6-5-7-13(12)19-14/h10-11,17H,4-9H2,1-3H3
InChIKeyUDLPVVOWTDLJCG-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine (CID 106823162) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine is CCOC1CC(NC(C)C)(c2nc3c(s2)CCC3)C1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is UDLPVVOWTDLJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-4-18-11-8-15(9-11,17-10(2)3)14-16-12-6-5-7-13(12)19-14/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 280.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 106823162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).