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

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

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Related Compounds

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,5-dimethyl-N-propylpyrrolidin-3-amine
CID 81467200
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylcyclobutan-1-amine
CID 61333808
3-methoxy-N-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclobutan-1-amine
CID 106823149
1-methyl-N-propyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azepan-4-amine
CID 65075437
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine
CID 64755799
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethyl-3-methylcyclopentan-1-amine
CID 64513823
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)cyclopentan-1-amine
CID 62542255
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81304117
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-ethylcyclooctan-1-amine
CID 61332209
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-ethoxy-N-propan-2-ylcyclobutan-1-amine
CID 106823162
1-cyclopropyl-N-propan-2-yl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidin-3-amine
CID 62974958
N-methyl-1-propan-2-yl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidin-4-amine
CID 61330183

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).