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

C17H22N2S — CID 63448733

IUPACN-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline
SMILESCCC1CCC(Nc2ccc(-c3nccs3)cc2)CC1
InChIInChI=1S/C17H22N2S/c1-2-13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)17-18-11-12-20-17/h5-6,9-13,15,19H,2-4,7-8H2,1H3
InChIKeyBAJVBBOQWPDDCM-UHFFFAOYSA-N
MW286.44 g/mol
LogP5.19
Rot. Bonds4

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

N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline (PubChem CID 63448733) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline
PubChem CID63448733
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline
SMILESCCC1CCC(Nc2ccc(-c3nccs3)cc2)CC1
InChIInChI=1S/C17H22N2S/c1-2-13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)17-18-11-12-20-17/h5-6,9-13,15,19H,2-4,7-8H2,1H3
InChIKeyBAJVBBOQWPDDCM-UHFFFAOYSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline (CID 63448733) is N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline is CCC1CCC(Nc2ccc(-c3nccs3)cc2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is BAJVBBOQWPDDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)17-18-11-12-20-17/h5-6,9-13,15,19H,2-4,7-8H2,1H3.
What are the key properties of N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline?
N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 286.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 63448733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).