2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide

C17H22N4O4S — CID 42813234

IUPAC2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)CCNC(=O)c1csc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H22N4O4S/c1-24-10-9-18-15(22)7-8-19-16(23)14-11-26-17(21-14)20-12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyPGPNJSGDBGFAKF-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.78
Rot. Bonds10

About 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide

2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide (PubChem CID 42813234) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
PubChem CID42813234
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
SMILESCOCCNC(=O)CCNC(=O)c1csc(Nc2ccc(OC)cc2)n1
InChIInChI=1S/C17H22N4O4S/c1-24-10-9-18-15(22)7-8-19-16(23)14-11-26-17(21-14)20-12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyPGPNJSGDBGFAKF-UHFFFAOYSA-N
XLogP1.78
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.78
H-Bond Donors ≤ 53
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-methoxyanilino)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813235
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 42813224
2-(2,4-dimethoxyanilino)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16955025
2-(4-ethoxyanilino)-N-propyl-1,3-thiazole-4-carboxamide
CID 16954831
2-(3-methoxyanilino)-N-[3-oxo-3-(propan-2-ylamino)propyl]-1,3-thiazole-4-carboxamide
CID 42813598
2-(4-methoxyanilino)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120830754
2-(3,4-dimethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 16955399
N-(2-hydroxyethyl)-2-(4-methylanilino)-1,3-thiazole-4-carboxamide
CID 3978830
2-(4-methoxyanilino)-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 42813617
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120948240
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46079084
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide (CID 42813234) is 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide is COCCNC(=O)CCNC(=O)c1csc(Nc2ccc(OC)cc2)n1.
What is the InChIKey of 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PGPNJSGDBGFAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-24-10-9-18-15(22)7-8-19-16(23)14-11-26-17(21-14)20-12-3-5-13(25-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide?
2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 1.78, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42813234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).