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

C16H16N6O3S — CID 155536335

IUPACethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccncc3)nn2)nc1C
InChIInChI=1S/C16H16N6O3S/c1-3-25-15(24)14-10(2)18-16(26-14)19-13(23)9-22-8-12(20-21-22)11-4-6-17-7-5-11/h4-8H,3,9H2,1-2H3,(H,18,19,23)
InChIKeyLXGWDYAHXUUJPG-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.92
Rot. Bonds6

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

ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 155536335) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID155536335
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Nameethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccncc3)nn2)nc1C
InChIInChI=1S/C16H16N6O3S/c1-3-25-15(24)14-10(2)18-16(26-14)19-13(23)9-22-8-12(20-21-22)11-4-6-17-7-5-11/h4-8H,3,9H2,1-2H3,(H,18,19,23)
InChIKeyLXGWDYAHXUUJPG-UHFFFAOYSA-N
XLogP1.92
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

Methyl 2-(isonicotinoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 887876
Ethyl 2-(isonicotinamido)-4-methylthiazole-5-carboxylate
CID 719362
2-[2-[[1-Oxo-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]ethyl]amino]-4-thiazolyl]acetic acid ethyl ester
CID 1601742
Ethyl 4-methyl-2-(pyridine-3-amido)-1,3-thiazole-5-carboxylate
CID 4124935
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-pyridin-4-yltriazol-1-yl)acetamide
CID 155518619
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 2-[[2-[4-(2-chlorophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155545539
Ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155567046
4-Methyl-2-[2-(3-methyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-thiazole-5-carboxylic acid ethyl ester
CID 3214218
Ethyl 1-ethyl-2,5-dimethyl-4-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxylate
CID 24246112

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 155536335) is ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2cc(-c3ccncc3)nn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is LXGWDYAHXUUJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-3-25-15(24)14-10(2)18-16(26-14)19-13(23)9-22-8-12(20-21-22)11-4-6-17-7-5-11/h4-8H,3,9H2,1-2H3,(H,18,19,23).
What are the key properties of ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 372.41 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-(4-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 155536335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).