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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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).