N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline

C21H26N2S — CID 142431124

IUPACN-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline
SMILESC=C(C1CCCCC1)N(C)c1cccc(-c2cnc(C3CC3)s2)c1
InChIInChI=1S/C21H26N2S/c1-15(16-7-4-3-5-8-16)23(2)19-10-6-9-18(13-19)20-14-22-21(24-20)17-11-12-17/h6,9-10,13-14,16-17H,1,3-5,7-8,11-12H2,2H3
InChIKeyAIGMZUQXZWVITR-UHFFFAOYSA-N
MW338.52 g/mol
LogP6.22
Rot. Bonds5

About N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline

N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline (PubChem CID 142431124) has the molecular formula C21H26N2S and a molecular weight of 338.52 g/mol. Its IUPAC name is N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline.

Molecular Properties

Compound NameN-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline
PubChem CID142431124
Molecular FormulaC21H26N2S
Molecular Weight338.52 g/mol
Exact Mass338.18
IUPAC NameN-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline
SMILESC=C(C1CCCCC1)N(C)c1cccc(-c2cnc(C3CC3)s2)c1
InChIInChI=1S/C21H26N2S/c1-15(16-7-4-3-5-8-16)23(2)19-10-6-9-18(13-19)20-14-22-21(24-20)17-11-12-17/h6,9-10,13-14,16-17H,1,3-5,7-8,11-12H2,2H3
InChIKeyAIGMZUQXZWVITR-UHFFFAOYSA-N
XLogP6.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.52
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-5-phenyl-1,3-thiazole
CID 174113230
4-(cyanomethyl)-N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-methylcyclohexane-1-carboxamide;4-cyclohexyl-1-methoxy-2-methylbenzene;ethane
CID 142431180
4-cyclohexyl-1-methoxy-2-methylbenzene;N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-methylcyclohexanecarboxamide;N-methyl-3-methylsulfinylpropanamide;molecular hydrogen
CID 142430926
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexanecarboxamide;N-methylethenamine;molecular hydrogen
CID 142431005
2-[5-[3-[1-cyclohexylethenyl-[[4-(4-ethyl-3-methylphenyl)cyclohexyl]methyl]amino]phenyl]-1,3-thiazol-2-yl]-4-(dimethylamino)-2-methylbutanenitrile;ethane
CID 142431242
N-[4-(2-cyclopropyl-1,3-thiazol-5-yl)-2-pyridinyl]-4-ethoxy-N-methylcyclohexane-1-carboxamide
CID 142431183
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-[6-(dimethylamino)-3-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]-4-hydroxycyclohexane-1-carboxamide
CID 142430400
N-(1-cyclohexylethenyl)-N-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]-3-(5-ethylthiophen-2-yl)aniline
CID 170100783
N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide
CID 146514852
2-cyclopropyl-5-(4-isocyanophenyl)-1,3-thiazole
CID 153456451
1-[5-[3-(dimethylamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907664
4-cyano-N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 142431040

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline?
The IUPAC name of N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline (CID 142431124) is N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline.
What is the SMILES notation for N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline?
The canonical SMILES for N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline is C=C(C1CCCCC1)N(C)c1cccc(-c2cnc(C3CC3)s2)c1.
What is the InChIKey of N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline?
The InChIKey is AIGMZUQXZWVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2S/c1-15(16-7-4-3-5-8-16)23(2)19-10-6-9-18(13-19)20-14-22-21(24-20)17-11-12-17/h6,9-10,13-14,16-17H,1,3-5,7-8,11-12H2,2H3.
What are the key properties of N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline?
N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline has a molecular weight of 338.52 g/mol, XLogP of 6.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethenyl)-3-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylaniline is sourced from PubChem (CID 142431124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).