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

C16H19N3O2S — CID 165435131

IUPACN-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2csc(-c3ccccc3)n2)CCO1
InChIInChI=1S/C16H19N3O2S/c1-17-15(20)14-10-19(7-8-21-14)9-13-11-22-16(18-13)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,17,20)
InChIKeyUJPFSLIXELYKET-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.76
Rot. Bonds4

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

N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide (PubChem CID 165435131) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
PubChem CID165435131
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2csc(-c3ccccc3)n2)CCO1
InChIInChI=1S/C16H19N3O2S/c1-17-15(20)14-10-19(7-8-21-14)9-13-11-22-16(18-13)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,17,20)
InChIKeyUJPFSLIXELYKET-UHFFFAOYSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,4S)-4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 139014319
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
N-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 166602296
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656
(2S)-4-benzyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 97008441
4-[(2-ethylpyrazol-3-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 86786686
4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide
CID 126787896
(2S)-4-[[5-(2-chlorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
CID 146526470
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide (CID 165435131) is N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide is CNC(=O)C1CN(Cc2csc(-c3ccccc3)n2)CCO1.
What is the InChIKey of N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
The InChIKey is UJPFSLIXELYKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-17-15(20)14-10-19(7-8-21-14)9-13-11-22-16(18-13)12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3,(H,17,20).
What are the key properties of N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-phenyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 165435131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).