1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate

C18H21N3O4S — CID 66832556

About 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate

1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 66832556) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate
• PubChem CID: 66832556
• Molecular Formula: C18H21N3O4S
• Molecular Weight: 375.45 g/mol
• Exact Mass: 375.13
• IUPAC Name: 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate
• SMILES: O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)OCc1cncs1
• InChI: InChI=1S/C18H21N3O4S/c22-17(21-6-8-24-9-7-21)16(10-14-4-2-1-3-5-14)20-18(23)25-12-15-11-19-13-26-15/h1-5,11,13,16H,6-10,12H2,(H,20,23)/t16-/m0/s1
• InChIKey: GIBFCYLQGPIYER-INIZCTEOSA-N
• XLogP: 1.84
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.45
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate?

The IUPAC name of 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate (CID 66832556) is 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate.

What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate?

The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate is O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)OCc1cncs1.

What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate?

The InChIKey is GIBFCYLQGPIYER-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-17(21-6-8-24-9-7-21)16(10-14-4-2-1-3-5-14)20-18(23)25-12-15-11-19-13-26-15/h1-5,11,13,16H,6-10,12H2,(H,20,23)/t16-/m0/s1.

What are the key properties of 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate?

1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 375.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-thiazol-5-ylmethyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 66832556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).