3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide

C16H19N3O3S — CID 136563168

IUPAC3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide
SMILESCOCC1COCCN1C(=O)Nc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-21-9-13-10-22-8-7-19(13)16(20)18-14-11-23-15(17-14)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,20)
InChIKeyAJQVIZYMIZJRMY-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.69
Rot. Bonds4

About 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide

3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide (PubChem CID 136563168) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide
PubChem CID136563168
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide
SMILESCOCC1COCCN1C(=O)Nc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O3S/c1-21-9-13-10-22-8-7-19(13)16(20)18-14-11-23-15(17-14)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,20)
InChIKeyAJQVIZYMIZJRMY-UHFFFAOYSA-N
XLogP2.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide (CID 136563168) is 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide is COCC1COCCN1C(=O)Nc1csc(-c2ccccc2)n1.
What is the InChIKey of 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide?
The InChIKey is AJQVIZYMIZJRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-21-9-13-10-22-8-7-19(13)16(20)18-14-11-23-15(17-14)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,18,20).
What are the key properties of 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide?
3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(2-phenyl-1,3-thiazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 136563168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).