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

C17H28N2S — CID 61332392

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CC(C)CC(C)(C)C1
InChIInChI=1S/C17H28N2S/c1-5-18-17(10-12(2)9-16(3,4)11-17)15-19-13-7-6-8-14(13)20-15/h12,18H,5-11H2,1-4H3
InChIKeyYIVWQRKBJYQLND-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.28
Rot. Bonds3

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 61332392) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine
PubChem CID61332392
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CC(C)CC(C)(C)C1
InChIInChI=1S/C17H28N2S/c1-5-18-17(10-12(2)9-16(3,4)11-17)15-19-13-7-6-8-14(13)20-15/h12,18H,5-11H2,1-4H3
InChIKeyYIVWQRKBJYQLND-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine (CID 61332392) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine is CCNC1(c2nc3c(s2)CCC3)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is YIVWQRKBJYQLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-5-18-17(10-12(2)9-16(3,4)11-17)15-19-13-7-6-8-14(13)20-15/h12,18H,5-11H2,1-4H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 61332392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).