1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide

C24H27N7O2S — CID 59429774

IUPAC1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide
SMILESCCN(CCOC)c1ccc(Nc2nc(-c3ccc(-n4cnc(C(N)=O)n4)cc3)cs2)c(C)c1
InChIInChI=1S/C24H27N7O2S/c1-4-30(11-12-33-3)19-9-10-20(16(2)13-19)27-24-28-21(14-34-24)17-5-7-18(8-6-17)31-15-26-23(29-31)22(25)32/h5-10,13-15H,4,11-12H2,1-3H3,(H2,25,32)(H,27,28)
InChIKeyGTBSEHOKJWGSIC-UHFFFAOYSA-N
MW477.59 g/mol
LogP4.01
Rot. Bonds10

About 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide

1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide (PubChem CID 59429774) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide
PubChem CID59429774
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide
SMILESCCN(CCOC)c1ccc(Nc2nc(-c3ccc(-n4cnc(C(N)=O)n4)cc3)cs2)c(C)c1
InChIInChI=1S/C24H27N7O2S/c1-4-30(11-12-33-3)19-9-10-20(16(2)13-19)27-24-28-21(14-34-24)17-5-7-18(8-6-17)31-15-26-23(29-31)22(25)32/h5-10,13-15H,4,11-12H2,1-3H3,(H2,25,32)(H,27,28)
InChIKeyGTBSEHOKJWGSIC-UHFFFAOYSA-N
XLogP4.01
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N-diethyl-2-methyl-1-N-[4-[4-(3-phenylimidazol-1-ium-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 58910537
1-(4-azidophenyl)-2-bromoethanone;1-N-[4-(4-azidophenyl)-1,3-thiazol-2-yl]-4-N,4-N-diethyl-2-methylbenzene-1,4-diamine;but-3-yn-2-ol;1-[1-[4-[2-[4-(diethylamino)-2-methylanilino]-1,3-thiazol-4-yl]phenyl]triazol-4-yl]ethanol;[4-(diethylamino)-2-methylphenyl]thiourea;ethanol
CID 160688499
1-(2-bromoacetyl)-4-(diazonioamino)benzene;but-3-yn-2-ol;4-[4-(diazonioamino)phenyl]-2-[4-(diethylamino)-2-methylanilino]-1,3-thiazole;1-[1-[4-[2-[4-(diethylamino)-2-methylanilino]-1,3-thiazol-4-yl]phenyl]triazol-4-yl]ethanol;[4-(diethylamino)-2-methylphenyl]thiourea;ethanol
CID 158031027
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955454
1-N,1-N-diethyl-4-methyl-3-N-[4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910659
1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine
CID 58910697
N-[4-[2-(4-hydroxy-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 972851
N-(3,5-dichlorophenyl)-4-[4-(diethylamino)phenyl]-1,3-thiazol-2-amine
CID 59429719
4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4646217
3-N-ethyl-3-N,4,6-trimethyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910975
N,N-diethyl-4-(2-hydrazinyl-1,3-thiazol-4-yl)aniline
CID 7148397
4-[4-(diethylamino)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-amine
CID 134126798

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide (CID 59429774) is 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide is CCN(CCOC)c1ccc(Nc2nc(-c3ccc(-n4cnc(C(N)=O)n4)cc3)cs2)c(C)c1.
What is the InChIKey of 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is GTBSEHOKJWGSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-4-30(11-12-33-3)19-9-10-20(16(2)13-19)27-24-28-21(14-34-24)17-5-7-18(8-6-17)31-15-26-23(29-31)22(25)32/h5-10,13-15H,4,11-12H2,1-3H3,(H2,25,32)(H,27,28).
What are the key properties of 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide?
1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-[ethyl(2-methoxyethyl)amino]-2-methylanilino]-1,3-thiazol-4-yl]phenyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 59429774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).