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

C17H28N2S — CID 64755799

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc3c(s2)CCC3)CCCC(C)C1C
InChIInChI=1S/C17H28N2S/c1-4-11-18-17(10-6-7-12(2)13(17)3)16-19-14-8-5-9-15(14)20-16/h12-13,18H,4-11H2,1-3H3
InChIKeyHOYYIIUMLKEBTE-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.28
Rot. Bonds4

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

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine (PubChem CID 64755799) 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)-2,3-dimethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine
PubChem CID64755799
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine
SMILESCCCNC1(c2nc3c(s2)CCC3)CCCC(C)C1C
InChIInChI=1S/C17H28N2S/c1-4-11-18-17(10-6-7-12(2)13(17)3)16-19-14-8-5-9-15(14)20-16/h12-13,18H,4-11H2,1-3H3
InChIKeyHOYYIIUMLKEBTE-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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)-2,3-dimethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine (CID 64755799) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine is CCCNC1(c2nc3c(s2)CCC3)CCCC(C)C1C.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine?
The InChIKey is HOYYIIUMLKEBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-4-11-18-17(10-6-7-12(2)13(17)3)16-19-14-8-5-9-15(14)20-16/h12-13,18H,4-11H2,1-3H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,3-dimethyl-N-propylcyclohexan-1-amine has a molecular weight of 292.49 g/mol, XLogP of 4.28, 4 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)-2,3-dimethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64755799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).