4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide

C15H14N4O2S — CID 166730191

IUPAC4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide
SMILESN#CN1CCOC(C(=O)Nc2cnc(-c3ccccc3)s2)C1
InChIInChI=1S/C15H14N4O2S/c16-10-19-6-7-21-12(9-19)14(20)18-13-8-17-15(22-13)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9H2,(H,18,20)
InChIKeyOQLYMNJFCAJWII-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.93
Rot. Bonds3

About 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide

4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide (PubChem CID 166730191) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide
PubChem CID166730191
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide
SMILESN#CN1CCOC(C(=O)Nc2cnc(-c3ccccc3)s2)C1
InChIInChI=1S/C15H14N4O2S/c16-10-19-6-7-21-12(9-19)14(20)18-13-8-17-15(22-13)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9H2,(H,18,20)
InChIKeyOQLYMNJFCAJWII-UHFFFAOYSA-N
XLogP1.93
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(2-(2,4-Difluorophenyl)thiazol-5-yl)-4-(1,4-oxazepan-4-yl)butanamide
CID 162366982
US11370784, Example 28
CID 141758446
1-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide
CID 118980639
N-cyano-N-(2-phenyl-1,3-thiazol-5-yl)pyrrolidine-3-carboxamide
CID 118980641
N-(2-phenyl-1,3-thiazol-5-yl)acetamide
CID 132341936
1-[(3S)-4-acetyl-7-(5-amino-1,3-thiazol-2-yl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-2-propoxypropan-1-one
CID 146341074
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 53515969
N-benzyl-2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 53549786
N-[3-(1,3-thiazol-2-yl)phenyl]morpholine-2-carboxamide
CID 61739467
N-[4-(1,3-thiazol-2-yl)phenyl]morpholine-2-carboxamide
CID 61740234
4-(2-Phenyl-1,3-thiazol-5-yl)morpholine
CID 66486220
4-[[2-(4-Propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
CID 71982957

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide?
The IUPAC name of 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide (CID 166730191) is 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide?
The canonical SMILES for 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide is N#CN1CCOC(C(=O)Nc2cnc(-c3ccccc3)s2)C1.
What is the InChIKey of 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide?
The InChIKey is OQLYMNJFCAJWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c16-10-19-6-7-21-12(9-19)14(20)18-13-8-17-15(22-13)11-4-2-1-3-5-11/h1-5,8,12H,6-7,9H2,(H,18,20).
What are the key properties of 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide?
4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-phenyl-1,3-thiazol-5-yl)morpholine-2-carboxamide is sourced from PubChem (CID 166730191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).