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

C15H15N5O3S2 — CID 155531996

IUPACethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(-c3cccs3)nn2)nc1C
InChIInChI=1S/C15H15N5O3S2/c1-3-23-14(22)13-9(2)16-15(25-13)17-12(21)8-20-7-10(18-19-20)11-5-4-6-24-11/h4-7H,3,8H2,1-2H3,(H,16,17,21)
InChIKeyPPAKTFKVQVYFTL-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.59
Rot. Bonds6

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

ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 155531996) has the molecular formula C15H15N5O3S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID155531996
Molecular FormulaC15H15N5O3S2
Molecular Weight377.45 g/mol
Exact Mass377.06
IUPAC Nameethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cn2cc(-c3cccs3)nn2)nc1C
InChIInChI=1S/C15H15N5O3S2/c1-3-23-14(22)13-9(2)16-15(25-13)17-12(21)8-20-7-10(18-19-20)11-5-4-6-24-11/h4-7H,3,8H2,1-2H3,(H,16,17,21)
InChIKeyPPAKTFKVQVYFTL-UHFFFAOYSA-N
XLogP2.59
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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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-pyridin-4-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 155536335
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide
CID 155537672
Ethyl 2-[[2-[4-(4-cyanophenyl)triazol-1-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 155567046
N-(1,3-thiazol-2-yl)-2-(4-thiophen-2-yltriazol-1-yl)acetamide
CID 155526029
Ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 863042
Ethyl 4-methyl-2-(2-(2-pyridylthio)acetylamino)-1,3-thiazole-5-carboxylate
CID 6470349
Ethyl 4-methyl-2-(2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamido)thiazole-5-carboxylate
CID 7688133
Ethyl 4-methyl-2-[(2-phenyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 17441893
Ethyl 4-methyl-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 17476962
Methyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103736
Methyl 2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103769

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 155531996) is ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cn2cc(-c3cccs3)nn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is PPAKTFKVQVYFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S2/c1-3-23-14(22)13-9(2)16-15(25-13)17-12(21)8-20-7-10(18-19-20)11-5-4-6-24-11/h4-7H,3,8H2,1-2H3,(H,16,17,21).
What are the key properties of ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-(4-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 377.45 g/mol, XLogP of 2.59, 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-thiophen-2-yltriazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 155531996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).