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

C18H23N3O2S — CID 96784696

IUPAC(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)NCc2csc(CCc3ccccc3)n2)C1
InChIInChI=1S/C18H23N3O2S/c1-21-9-10-23-16(12-21)18(22)19-11-15-13-24-17(20-15)8-7-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyJKBBBNIVXKNWGW-INIZCTEOSA-N
MW345.47 g/mol
LogP1.88
Rot. Bonds6

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

(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide (PubChem CID 96784696) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide
PubChem CID96784696
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)NCc2csc(CCc3ccccc3)n2)C1
InChIInChI=1S/C18H23N3O2S/c1-21-9-10-23-16(12-21)18(22)19-11-15-13-24-17(20-15)8-7-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyJKBBBNIVXKNWGW-INIZCTEOSA-N
XLogP1.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide (CID 96784696) is (2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide is CN1CCO[C@H](C(=O)NCc2csc(CCc3ccccc3)n2)C1.
What is the InChIKey of (2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide?
The InChIKey is JKBBBNIVXKNWGW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-21-9-10-23-16(12-21)18(22)19-11-15-13-24-17(20-15)8-7-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide?
(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide is sourced from PubChem (CID 96784696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).