3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide

C16H19N3O2S — CID 91837781

IUPAC3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCOC(c2ccccc2)C1)Nc1nccs1
InChIInChI=1S/C16H19N3O2S/c20-15(18-16-17-7-11-22-16)6-8-19-9-10-21-14(12-19)13-4-2-1-3-5-13/h1-5,7,11,14H,6,8-10,12H2,(H,17,18,20)
InChIKeyHLIMYGYFYPXORL-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.55
Rot. Bonds5

About 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 91837781) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID91837781
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCN1CCOC(c2ccccc2)C1)Nc1nccs1
InChIInChI=1S/C16H19N3O2S/c20-15(18-16-17-7-11-22-16)6-8-19-9-10-21-14(12-19)13-4-2-1-3-5-13/h1-5,7,11,14H,6,8-10,12H2,(H,17,18,20)
InChIKeyHLIMYGYFYPXORL-UHFFFAOYSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-(4-hydroxypiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86217821
2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965045
2-[3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965044
N-(2-fluorophenyl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 43065711
N-(2-fluorophenyl)-3-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 30891589
2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 36732639
2-[[2-(2-phenylmorpholin-4-yl)acetyl]amino]thiophene-3-carboxamide
CID 71942816
2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95137831
3-(4-acetyl-6-hydroxy-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 74239207
2-[(2R)-4-[2-(dimethylamino)-2-oxoethyl]morpholin-2-yl]-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 92638362
3-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methoxyphenyl)propanamide
CID 43065717

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 91837781) is 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCN1CCOC(c2ccccc2)C1)Nc1nccs1.
What is the InChIKey of 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HLIMYGYFYPXORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15(18-16-17-7-11-22-16)6-8-19-9-10-21-14(12-19)13-4-2-1-3-5-13/h1-5,7,11,14H,6,8-10,12H2,(H,17,18,20).
What are the key properties of 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 317.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmorpholin-4-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 91837781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).