3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H27N3S — CID 61335769

IUPAC3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1(c2nc3c(s2)CCC3)CC2CCC(C1)N2C
InChIInChI=1S/C17H27N3S/c1-3-9-18-17(10-12-7-8-13(11-17)20(12)2)16-19-14-5-4-6-15(14)21-16/h12-13,18H,3-11H2,1-2H3
InChIKeyRCYIQWIZEGXQCG-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.08
Rot. Bonds4

About 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61335769) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61335769
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1(c2nc3c(s2)CCC3)CC2CCC(C1)N2C
InChIInChI=1S/C17H27N3S/c1-3-9-18-17(10-12-7-8-13(11-17)20(12)2)16-19-14-5-4-6-15(14)21-16/h12-13,18H,3-11H2,1-2H3
InChIKeyRCYIQWIZEGXQCG-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.08
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)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61335769) is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1(c2nc3c(s2)CCC3)CC2CCC(C1)N2C.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is RCYIQWIZEGXQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-3-9-18-17(10-12-7-8-13(11-17)20(12)2)16-19-14-5-4-6-15(14)21-16/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 305.49 g/mol, XLogP of 3.08, 4 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)-8-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61335769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).