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

C18H23N3O2S — CID 71859638

IUPAC3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide
SMILESCC1COCCN1C(=O)NCc1csc(CCc2ccccc2)n1
InChIInChI=1S/C18H23N3O2S/c1-14-12-23-10-9-21(14)18(22)19-11-16-13-24-17(20-16)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,22)
InChIKeyVQEWMCXSUZWQTP-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.86
Rot. Bonds5

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

3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide (PubChem CID 71859638) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide
PubChem CID71859638
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide
SMILESCC1COCCN1C(=O)NCc1csc(CCc2ccccc2)n1
InChIInChI=1S/C18H23N3O2S/c1-14-12-23-10-9-21(14)18(22)19-11-16-13-24-17(20-16)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,22)
InChIKeyVQEWMCXSUZWQTP-UHFFFAOYSA-N
XLogP2.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide (CID 71859638) is 3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide is CC1COCCN1C(=O)NCc1csc(CCc2ccccc2)n1.
What is the InChIKey of 3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide?
The InChIKey is VQEWMCXSUZWQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-12-23-10-9-21(14)18(22)19-11-16-13-24-17(20-16)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3,(H,19,22).
What are the key properties of 3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide?
3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 71859638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).