N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide

C16H19N3O2S — CID 3000061

IUPACN-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCc1nc(NC(=O)CN2CCOCC2)sc1-c1ccccc1
InChIInChI=1S/C16H19N3O2S/c1-12-15(13-5-3-2-4-6-13)22-16(17-12)18-14(20)11-19-7-9-21-10-8-19/h2-6H,7-11H2,1H3,(H,17,18,20)
InChIKeyJZLYOLMLWUIMGJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.39
Rot. Bonds4

About N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide

N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide (PubChem CID 3000061) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide
PubChem CID3000061
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide
SMILESCc1nc(NC(=O)CN2CCOCC2)sc1-c1ccccc1
InChIInChI=1S/C16H19N3O2S/c1-12-15(13-5-3-2-4-6-13)22-16(17-12)18-14(20)11-19-7-9-21-10-8-19/h2-6H,7-11H2,1H3,(H,17,18,20)
InChIKeyJZLYOLMLWUIMGJ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide (CID 3000061) is N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide is Cc1nc(NC(=O)CN2CCOCC2)sc1-c1ccccc1.
What is the InChIKey of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide?
The InChIKey is JZLYOLMLWUIMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-15(13-5-3-2-4-6-13)22-16(17-12)18-14(20)11-19-7-9-21-10-8-19/h2-6H,7-11H2,1H3,(H,17,18,20).
What are the key properties of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide?
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide has a molecular weight of 317.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 3000061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).