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

C15H26N2S — CID 114079947

IUPAC3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)(CCC)c1nc2c(s1)CCC2
InChIInChI=1S/C15H26N2S/c1-4-10-15(6-3,16-11-5-2)14-17-12-8-7-9-13(12)18-14/h16H,4-11H2,1-3H3
InChIKeyMJOHFEGNXAJFCU-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.04
Rot. Bonds7

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

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine (PubChem CID 114079947) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine
PubChem CID114079947
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CC)(CCC)c1nc2c(s1)CCC2
InChIInChI=1S/C15H26N2S/c1-4-10-15(6-3,16-11-5-2)14-17-12-8-7-9-13(12)18-14/h16H,4-11H2,1-3H3
InChIKeyMJOHFEGNXAJFCU-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-propylhexan-3-amine?
The IUPAC name of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine (CID 114079947) is 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine?
The canonical SMILES for 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine is CCCNC(CC)(CCC)c1nc2c(s1)CCC2.
What is the InChIKey of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine?
The InChIKey is MJOHFEGNXAJFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-4-10-15(6-3,16-11-5-2)14-17-12-8-7-9-13(12)18-14/h16H,4-11H2,1-3H3.
What are the key properties of 3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine?
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine has a molecular weight of 266.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 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-propylhexan-3-amine is sourced from PubChem (CID 114079947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).