4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline

C16H20N2OS — CID 169263372

IUPAC4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C16H20N2OS/c1-19-14-9-12(17)7-8-13(14)15-10-18-16(20-15)11-5-3-2-4-6-11/h7-11H,2-6,17H2,1H3
InChIKeyABCWGXXAPSXXQE-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.45
Rot. Bonds3

About 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline

4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline (PubChem CID 169263372) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline
PubChem CID169263372
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1cnc(C2CCCCC2)s1
InChIInChI=1S/C16H20N2OS/c1-19-14-9-12(17)7-8-13(14)15-10-18-16(20-15)11-5-3-2-4-6-11/h7-11H,2-6,17H2,1H3
InChIKeyABCWGXXAPSXXQE-UHFFFAOYSA-N
XLogP4.45
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline?
The IUPAC name of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline (CID 169263372) is 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline.
What is the SMILES notation for 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline?
The canonical SMILES for 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline is COc1cc(N)ccc1-c1cnc(C2CCCCC2)s1.
What is the InChIKey of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline?
The InChIKey is ABCWGXXAPSXXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-19-14-9-12(17)7-8-13(14)15-10-18-16(20-15)11-5-3-2-4-6-11/h7-11H,2-6,17H2,1H3.
What are the key properties of 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline?
4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline has a molecular weight of 288.42 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyl-1,3-thiazol-5-yl)-3-methoxyaniline is sourced from PubChem (CID 169263372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).