2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline

C16H21N3OS — CID 82105878

IUPAC2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline
SMILESCC(C)c1nc(-c2ccc(N3CCOCC3)c(N)c2)cs1
InChIInChI=1S/C16H21N3OS/c1-11(2)16-18-14(10-21-16)12-3-4-15(13(17)9-12)19-5-7-20-8-6-19/h3-4,9-11H,5-8,17H2,1-2H3
InChIKeyWCCVGDIGFCFSEX-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.35
Rot. Bonds3

About 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline

2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline (PubChem CID 82105878) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline.

Molecular Properties

Compound Name2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline
PubChem CID82105878
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline
SMILESCC(C)c1nc(-c2ccc(N3CCOCC3)c(N)c2)cs1
InChIInChI=1S/C16H21N3OS/c1-11(2)16-18-14(10-21-16)12-3-4-15(13(17)9-12)19-5-7-20-8-6-19/h3-4,9-11H,5-8,17H2,1-2H3
InChIKeyWCCVGDIGFCFSEX-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline?
The IUPAC name of 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline (CID 82105878) is 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline.
What is the SMILES notation for 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline?
The canonical SMILES for 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline is CC(C)c1nc(-c2ccc(N3CCOCC3)c(N)c2)cs1.
What is the InChIKey of 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline?
The InChIKey is WCCVGDIGFCFSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(2)16-18-14(10-21-16)12-3-4-15(13(17)9-12)19-5-7-20-8-6-19/h3-4,9-11H,5-8,17H2,1-2H3.
What are the key properties of 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline?
2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline has a molecular weight of 303.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-(2-propan-2-yl-1,3-thiazol-4-yl)aniline is sourced from PubChem (CID 82105878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).