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

C16H26N2OS — CID 79927867

IUPAC3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H26N2OS/c1-6-17-16(10-14(2,3)19-15(16,4)5)13-18-11-8-7-9-12(11)20-13/h17H,6-10H2,1-5H3
InChIKeyXTSZQSPJIDXXGL-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.41
Rot. Bonds3

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

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79927867) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79927867
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCNC1(c2nc3c(s2)CCC3)CC(C)(C)OC1(C)C
InChIInChI=1S/C16H26N2OS/c1-6-17-16(10-14(2,3)19-15(16,4)5)13-18-11-8-7-9-12(11)20-13/h17H,6-10H2,1-5H3
InChIKeyXTSZQSPJIDXXGL-UHFFFAOYSA-N
XLogP3.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine (CID 79927867) is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine is CCNC1(c2nc3c(s2)CCC3)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is XTSZQSPJIDXXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-6-17-16(10-14(2,3)19-15(16,4)5)13-18-11-8-7-9-12(11)20-13/h17H,6-10H2,1-5H3.
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine?
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 294.46 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79927867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).