N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline

C17H22N2S — CID 79835492

IUPACN-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
SMILESCC1(C)CCCCC1Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C17H22N2S/c1-17(2)9-4-3-8-15(17)19-14-7-5-6-13(12-14)16-18-10-11-20-16/h5-7,10-12,15,19H,3-4,8-9H2,1-2H3
InChIKeyGIKHJGJTNXMOHD-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.19
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline

N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline (PubChem CID 79835492) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
PubChem CID79835492
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
SMILESCC1(C)CCCCC1Nc1cccc(-c2nccs2)c1
InChIInChI=1S/C17H22N2S/c1-17(2)9-4-3-8-15(17)19-14-7-5-6-13(12-14)16-18-10-11-20-16/h5-7,10-12,15,19H,3-4,8-9H2,1-2H3
InChIKeyGIKHJGJTNXMOHD-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-(2-Propylpyridin-4-yl)thiazol-4-yl)benzenamine
CID 25012739
n-Isopropyl-4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)benzenamine
CID 25012896
N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 25012899
N-(cyclopropylmethyl)-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 25012900
Thiazolium, 2-(p-(dimethylamino)phenyl)-3-methyl-, iodide
CID 209189
4-(1,3-Thiazol-2-yl)aniline
CID 3474784
N-Methyl-4-(1,3-thiazol-2-yl)benzylamine
CID 18525747
1-[1-[4-(1,3-Thiazol-2-yl)phenyl]cyclohexyl]ethanamine
CID 68678292
3-(1,3-Thiazol-2-yl)aniline
CID 11019390
1-[3-(1,3-thiazol-4-yl)phenyl]-N-[2-(2-thienyl)ethyl]-4-piperidinamine
CID 30898551
(R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)ethanamine
CID 44542480
N-(4-methylpentan-2-yl)-1-[3-(1,3-thiazol-4-yl)phenyl]piperidin-4-amine
CID 46983691

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline (CID 79835492) is N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline is CC1(C)CCCCC1Nc1cccc(-c2nccs2)c1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is GIKHJGJTNXMOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-17(2)9-4-3-8-15(17)19-14-7-5-6-13(12-14)16-18-10-11-20-16/h5-7,10-12,15,19H,3-4,8-9H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline?
N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 286.44 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 79835492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).