N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine

C17H22N2S — CID 64715192

IUPACN-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1nc(C2CCCC2)sc1-c1ccccc1
InChIInChI=1S/C17H22N2S/c1-2-18-12-15-16(13-8-4-3-5-9-13)20-17(19-15)14-10-6-7-11-14/h3-5,8-9,14,18H,2,6-7,10-12H2,1H3
InChIKeyOQRJBLYJGBLORG-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.58
Rot. Bonds5

About N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine

N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 64715192) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID64715192
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1nc(C2CCCC2)sc1-c1ccccc1
InChIInChI=1S/C17H22N2S/c1-2-18-12-15-16(13-8-4-3-5-9-13)20-17(19-15)14-10-6-7-11-14/h3-5,8-9,14,18H,2,6-7,10-12H2,1H3
InChIKeyOQRJBLYJGBLORG-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 64715192) is N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine is CCNCc1nc(C2CCCC2)sc1-c1ccccc1.
What is the InChIKey of N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is OQRJBLYJGBLORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-18-12-15-16(13-8-4-3-5-9-13)20-17(19-15)14-10-6-7-11-14/h3-5,8-9,14,18H,2,6-7,10-12H2,1H3.
What are the key properties of N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 286.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyl-5-phenyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 64715192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).