N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide

C15H17N3O2S — CID 34676821

IUPACN-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C15H17N3O2S/c19-15(18-6-8-20-9-7-18)16-10-13-11-21-14(17-13)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,16,19)
InChIKeyINEGGDYGVZVKJI-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.35
Rot. Bonds3

About N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide (PubChem CID 34676821) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide
PubChem CID34676821
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)N1CCOCC1
InChIInChI=1S/C15H17N3O2S/c19-15(18-6-8-20-9-7-18)16-10-13-11-21-14(17-13)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,16,19)
InChIKeyINEGGDYGVZVKJI-UHFFFAOYSA-N
XLogP2.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Phenyl-1,3-thiazol-2-yl)morpholine
CID 727584
2-Morpholino-N-(4-phenylthiazol-2-yl)acetamide
CID 783107
2-Morpholino-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2336901
1-(3,3-Diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 11955209
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 118514488
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]azepane-1-carboxamide
CID 118514531
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524279
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524281
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524282
N-[2-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524284
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 118524336

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide (CID 34676821) is N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide is O=C(NCc1csc(-c2ccccc2)n1)N1CCOCC1.
What is the InChIKey of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide?
The InChIKey is INEGGDYGVZVKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-15(18-6-8-20-9-7-18)16-10-13-11-21-14(17-13)12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,16,19).
What are the key properties of N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide?
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 34676821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).