N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline

C17H22N2S — CID 64500643

IUPACN-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCCC1CCC(Nc2cccc(-c3csc(C)n3)c2)C1
InChIInChI=1S/C17H22N2S/c1-3-13-7-8-16(9-13)19-15-6-4-5-14(10-15)17-11-20-12(2)18-17/h4-6,10-11,13,16,19H,3,7-9H2,1-2H3
InChIKeyNCMBZDHZYLZLQH-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.11
Rot. Bonds4

About N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline

N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (PubChem CID 64500643) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
PubChem CID64500643
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
SMILESCCC1CCC(Nc2cccc(-c3csc(C)n3)c2)C1
InChIInChI=1S/C17H22N2S/c1-3-13-7-8-16(9-13)19-15-6-4-5-14(10-15)17-11-20-12(2)18-17/h4-6,10-11,13,16,19H,3,7-9H2,1-2H3
InChIKeyNCMBZDHZYLZLQH-UHFFFAOYSA-N
XLogP5.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclobutyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 104860018
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-4-ylmethyl)aniline
CID 62384496
1-cyclopentyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 100560521
N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714323
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
CID 82833997
N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066
2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941008
N-cyclopentyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 28541004
2-methyl-4-[3-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573268
(1S,5R)-8-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-azabicyclo[3.2.1]octane-3-carboxamide
CID 72899676
(2S,4S)-2-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 120618174
3-(2-methyl-1,3-thiazol-4-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43714292

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The IUPAC name of N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline (CID 64500643) is N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is CCC1CCC(Nc2cccc(-c3csc(C)n3)c2)C1.
What is the InChIKey of N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
The InChIKey is NCMBZDHZYLZLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-13-7-8-16(9-13)19-15-6-4-5-14(10-15)17-11-20-12(2)18-17/h4-6,10-11,13,16,19H,3,7-9H2,1-2H3.
What are the key properties of N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline?
N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline has a molecular weight of 286.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 64500643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).