3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide

C18H23N3O2S — CID 110678917

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2ccccc2N2CCOCC2)s1
InChIInChI=1S/C18H23N3O2S/c1-13-17(24-14(2)19-13)7-8-18(22)20-15-5-3-4-6-16(15)21-9-11-23-12-10-21/h3-6H,7-12H2,1-2H3,(H,20,22)
InChIKeyDESCCELCAIVFFO-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.17
Rot. Bonds5

About 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide (PubChem CID 110678917) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide
PubChem CID110678917
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2ccccc2N2CCOCC2)s1
InChIInChI=1S/C18H23N3O2S/c1-13-17(24-14(2)19-13)7-8-18(22)20-15-5-3-4-6-16(15)21-9-11-23-12-10-21/h3-6H,7-12H2,1-2H3,(H,20,22)
InChIKeyDESCCELCAIVFFO-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(2-morpholin-4-ylphenyl)propanamide
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CID 18071535
3-(4-methylphenyl)sulfonyl-N-(2-morpholin-4-ylphenyl)propanamide
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2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
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3-(3-aminophenyl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 28713588
N-(2-morpholin-4-ylphenyl)-3-(2,4,6-trimethylanilino)propanamide
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5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3264830
N-(2-morpholin-4-ylphenyl)-3-piperidin-1-ylpropanamide
CID 110688369
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
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6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide (CID 110678917) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide is Cc1nc(C)c(CCC(=O)Nc2ccccc2N2CCOCC2)s1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide?
The InChIKey is DESCCELCAIVFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-17(24-14(2)19-13)7-8-18(22)20-15-5-3-4-6-16(15)21-9-11-23-12-10-21/h3-6H,7-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide has a molecular weight of 345.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 110678917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).