1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one

C16H19N3O2S — CID 133370153

IUPAC1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
SMILESO=C(CCNc1ncc(-c2ccccc2)s1)N1CCOCC1
InChIInChI=1S/C16H19N3O2S/c20-15(19-8-10-21-11-9-19)6-7-17-16-18-12-14(22-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,18)
InChIKeyWCFKNKHDVYGRGI-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.47
Rot. Bonds5

About 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one

1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one (PubChem CID 133370153) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
PubChem CID133370153
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one
SMILESO=C(CCNc1ncc(-c2ccccc2)s1)N1CCOCC1
InChIInChI=1S/C16H19N3O2S/c20-15(19-8-10-21-11-9-19)6-7-17-16-18-12-14(22-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,18)
InChIKeyWCFKNKHDVYGRGI-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133381734
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112698599
3-[2,6-di(propan-2-yl)anilino]-1-morpholin-4-ylpropan-1-one
CID 109015777
3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112692551
3-[(5-amino-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102768981
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one
CID 113411257
2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid
CID 113411549
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
2-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115578372
6-[(3-morpholin-4-yl-3-oxopropyl)amino]pyridine-3-carboxamide
CID 115579964

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one (CID 133370153) is 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one is O=C(CCNc1ncc(-c2ccccc2)s1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
The InChIKey is WCFKNKHDVYGRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-15(19-8-10-21-11-9-19)6-7-17-16-18-12-14(22-16)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,18).
What are the key properties of 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one?
1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one has a molecular weight of 317.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-[(5-phenyl-1,3-thiazol-2-yl)amino]propan-1-one is sourced from PubChem (CID 133370153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).