4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline

C16H21N3OS — CID 79665221

IUPAC4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline
SMILESCC(C)N1CCOC(c2nc(-c3ccc(N)cc3)cs2)C1
InChIInChI=1S/C16H21N3OS/c1-11(2)19-7-8-20-15(9-19)16-18-14(10-21-16)12-3-5-13(17)6-4-12/h3-6,10-11,15H,7-9,17H2,1-2H3
InChIKeyWPJMTNQOLKZTOU-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.17
Rot. Bonds3

About 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline

4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline (PubChem CID 79665221) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline
PubChem CID79665221
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline
SMILESCC(C)N1CCOC(c2nc(-c3ccc(N)cc3)cs2)C1
InChIInChI=1S/C16H21N3OS/c1-11(2)19-7-8-20-15(9-19)16-18-14(10-21-16)12-3-5-13(17)6-4-12/h3-6,10-11,15H,7-9,17H2,1-2H3
InChIKeyWPJMTNQOLKZTOU-UHFFFAOYSA-N
XLogP3.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline (CID 79665221) is 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline is CC(C)N1CCOC(c2nc(-c3ccc(N)cc3)cs2)C1.
What is the InChIKey of 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline?
The InChIKey is WPJMTNQOLKZTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(2)19-7-8-20-15(9-19)16-18-14(10-21-16)12-3-5-13(17)6-4-12/h3-6,10-11,15H,7-9,17H2,1-2H3.
What are the key properties of 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline?
4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline has a molecular weight of 303.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 79665221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).