2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide

C19H24N4O4S — CID 84555624

IUPAC2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)NCCCN3CCOCC3)cs2)cc1
InChIInChI=1S/C19H24N4O4S/c1-26-15-5-3-14(4-6-15)17(24)22-19-21-16(13-28-19)18(25)20-7-2-8-23-9-11-27-12-10-23/h3-6,13H,2,7-12H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyGDFBAEIJWJUPFF-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.86
Rot. Bonds8

About 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide

2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 84555624) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID84555624
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Name2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2nc(C(=O)NCCCN3CCOCC3)cs2)cc1
InChIInChI=1S/C19H24N4O4S/c1-26-15-5-3-14(4-6-15)17(24)22-19-21-16(13-28-19)18(25)20-7-2-8-23-9-11-27-12-10-23/h3-6,13H,2,7-12H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyGDFBAEIJWJUPFF-UHFFFAOYSA-N
XLogP1.86
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxybenzoyl)amino]-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 16916267
2-(1,3-benzodioxole-5-carbonylamino)-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 46113996
N-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555706
2-[(3,4-dichlorobenzoyl)amino]-N-(3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 46113825
methyl 2-(3-morpholin-4-ylpropylamino)-1,3-thiazole-4-carboxylate
CID 113306717
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-[(3,4-dimethoxybenzoyl)amino]-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 19611220
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 126479402
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696602
2-[(4-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84555698

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide (CID 84555624) is 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide is COc1ccc(C(=O)Nc2nc(C(=O)NCCCN3CCOCC3)cs2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GDFBAEIJWJUPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-26-15-5-3-14(4-6-15)17(24)22-19-21-16(13-28-19)18(25)20-7-2-8-23-9-11-27-12-10-23/h3-6,13H,2,7-12H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide?
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84555624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).