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

C18H24N2S — CID 63453258

IUPACN-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
SMILESCC(C)C1CCC(Nc2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C18H24N2S/c1-13(2)14-6-8-16(9-7-14)20-17-5-3-4-15(12-17)18-19-10-11-21-18/h3-5,10-14,16,20H,6-9H2,1-2H3
InChIKeyOHLIQGUIMAUPJJ-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.44
Rot. Bonds4

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

N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline (PubChem CID 63453258) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
PubChem CID63453258
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline
SMILESCC(C)C1CCC(Nc2cccc(-c3nccs3)c2)CC1
InChIInChI=1S/C18H24N2S/c1-13(2)14-6-8-16(9-7-14)20-17-5-3-4-15(12-17)18-19-10-11-21-18/h3-5,10-14,16,20H,6-9H2,1-2H3
InChIKeyOHLIQGUIMAUPJJ-UHFFFAOYSA-N
XLogP5.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline (CID 63453258) is N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline is CC(C)C1CCC(Nc2cccc(-c3nccs3)c2)CC1.
What is the InChIKey of N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline?
The InChIKey is OHLIQGUIMAUPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13(2)14-6-8-16(9-7-14)20-17-5-3-4-15(12-17)18-19-10-11-21-18/h3-5,10-14,16,20H,6-9H2,1-2H3.
What are the key properties of N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline?
N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline has a molecular weight of 300.47 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylcyclohexyl)-3-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 63453258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).