N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

C23H28N4O3S — CID 16955454

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2csc(Nc3ccc(OC)c(OC)c3)n2)c(C)c1
InChIInChI=1S/C23H28N4O3S/c1-6-27(7-2)17-9-10-18(15(3)12-17)25-22(28)19-14-31-23(26-19)24-16-8-11-20(29-4)21(13-16)30-5/h8-14H,6-7H2,1-5H3,(H,24,26)(H,25,28)
InChIKeyORZXHDSZVSVCBI-UHFFFAOYSA-N
MW440.57 g/mol
LogP5.31
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (PubChem CID 16955454) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
PubChem CID16955454
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2csc(Nc3ccc(OC)c(OC)c3)n2)c(C)c1
InChIInChI=1S/C23H28N4O3S/c1-6-27(7-2)17-9-10-18(15(3)12-17)25-22(28)19-14-31-23(26-19)24-16-8-11-20(29-4)21(13-16)30-5/h8-14H,6-7H2,1-5H3,(H,24,26)(H,25,28)
InChIKeyORZXHDSZVSVCBI-UHFFFAOYSA-N
XLogP5.31
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
N-(2-chlorophenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955416
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
2-(4-ethoxyanilino)-N-(2-methoxy-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16954960
N-cyclopropyl-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955471
N-(5-chloro-2-methoxyphenyl)-2-(4-ethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16954939
2-(3,4-dimethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 16955399
N-(4-bromo-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955294
2-(2,4-dimethoxyanilino)-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16955084
N-(5-chloro-2-methoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955295

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide (CID 16955454) is N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2csc(Nc3ccc(OC)c(OC)c3)n2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is ORZXHDSZVSVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-6-27(7-2)17-9-10-18(15(3)12-17)25-22(28)19-14-31-23(26-19)24-16-8-11-20(29-4)21(13-16)30-5/h8-14H,6-7H2,1-5H3,(H,24,26)(H,25,28).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 5.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16955454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).