ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C18H16N6O3S — CID 155567046

IUPACethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccc(C#N)cc3)nn2)nc1C
InChIInChI=1S/C18H16N6O3S/c1-3-27-17(26)16-11(2)20-18(28-16)21-15(25)10-24-9-14(22-23-24)13-6-4-12(8-19)5-7-13/h4-7,9H,3,10H2,1-2H3,(H,20,21,25)
InChIKeyGNTFFJHUGLDCCA-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.40
Rot. Bonds6

About ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 155567046) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID155567046
Molecular FormulaC18H16N6O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Nameethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccc(C#N)cc3)nn2)nc1C
InChIInChI=1S/C18H16N6O3S/c1-3-27-17(26)16-11(2)20-18(28-16)21-15(25)10-24-9-14(22-23-24)13-6-4-12(8-19)5-7-13/h4-7,9H,3,10H2,1-2H3,(H,20,21,25)
InChIKeyGNTFFJHUGLDCCA-UHFFFAOYSA-N
XLogP2.40
TPSA122.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate 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

Ethyl 2-[[2-[4-(4-fluorophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155524604
Ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 155531996
Ethyl 2-[[2-[4-(4-chlorophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155532706
Ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 155536335
Ethyl 2-[[2-[4-(2-chlorophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155545539
Ethyl 4-methyl-2-[[2-[4-(4-nitrophenyl)triazol-1-yl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 155559993
Ethyl 2-[[2-[4-(4-methoxyphenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155568865
N-[5-[2-[4-(4-tert-butylphenyl)triazol-1-yl]acetyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 53299907
Methyl 4-[1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]triazol-4-yl]benzoate
CID 155551256
ethyl 4-methyl-2-{2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamido}-1,3-thiazole-5-carboxylate
CID 16801721
ethyl 2-(1-methyl-1H-pyrazole-5-carboxamido)-4-phenylthiazole-5-carboxylate
CID 17143601
US20250084074, Example 203
CID 168974279

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 155567046) is ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccc(C#N)cc3)nn2)nc1C.
What is the InChIKey of ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is GNTFFJHUGLDCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c1-3-27-17(26)16-11(2)20-18(28-16)21-15(25)10-24-9-14(22-23-24)13-6-4-12(8-19)5-7-13/h4-7,9H,3,10H2,1-2H3,(H,20,21,25).
What are the key properties of ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 396.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 155567046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).