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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Related Compounds

(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[(1S)-1-phenylethyl]thiourea
CID 164611807
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-[(1R)-1-phenylethyl]thiourea
CID 164616851
2-[(E)-1-[2-(4-butylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 53258073
(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
N-methyl-1-(4-phenyl-1,3-thiazol-2-yl)methanamine
CID 600157
(S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethanamine
CID 122423107
1-(4,5-Bis(4-(tert-butyl)phenyl)thiazol-2-yl)-N-(piperidin-4-ylmethyl)methanamine
CID 155547999
3-Ethyl-2-methyl-4,5-diphenyl-1,3-thiazol-3-ium
CID 2783627
2-[(E)-1-[4-methyl-2-(4-propylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 74221216
2-[(E)-1-[4-methyl-2-(4-pentylphenyl)-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 74221217

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).