ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate

C18H16N6O2S — CID 108776559

IUPACethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Nc1nc2scc(C)n2n1
InChIInChI=1S/C18H16N6O2S/c1-3-26-16(25)13-9-19-14(12-7-5-4-6-8-12)20-15(13)21-17-22-18-24(23-17)11(2)10-27-18/h4-10H,3H2,1-2H3,(H,19,20,21,23)
InChIKeyGQICHGVCTBLTTL-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.48
Rot. Bonds5

About ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate

ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate (PubChem CID 108776559) has the molecular formula C18H16N6O2S and a molecular weight of 380.43 g/mol. Its IUPAC name is ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate
PubChem CID108776559
Molecular FormulaC18H16N6O2S
Molecular Weight380.43 g/mol
Exact Mass380.11
IUPAC Nameethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Nc1nc2scc(C)n2n1
InChIInChI=1S/C18H16N6O2S/c1-3-26-16(25)13-9-19-14(12-7-5-4-6-8-12)20-15(13)21-17-22-18-24(23-17)11(2)10-27-18/h4-10H,3H2,1-2H3,(H,19,20,21,23)
InChIKeyGQICHGVCTBLTTL-UHFFFAOYSA-N
XLogP3.48
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-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 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate
CID 108772518
ethyl 2-(3-methylphenyl)-4-[(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]pyrimidine-5-carboxylate
CID 108772254
ethyl 2-methyl-4-[(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]pyrimidine-5-carboxylate
CID 108772217
ethyl 2-(4-methoxyphenyl)-4-[[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108772302
ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate
CID 20554387
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
ethyl 4-(2,5-dihydropyrrol-1-yl)-2-phenylpyrimidine-5-carboxylate
CID 59517593
ethyl 4-[(5-methyl-2-quinolin-2-ylpyrazol-3-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108778745
ethyl 4-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108772671
ethyl 2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 1474606
ethyl 2-(4-chlorophenyl)-4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carboxylate
CID 108777934
ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate (CID 108776559) is ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1nc2scc(C)n2n1.
What is the InChIKey of ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate?
The InChIKey is GQICHGVCTBLTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2S/c1-3-26-16(25)13-9-19-14(12-7-5-4-6-8-12)20-15(13)21-17-22-18-24(23-17)11(2)10-27-18/h4-10H,3H2,1-2H3,(H,19,20,21,23).
What are the key properties of ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate?
ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate has a molecular weight of 380.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 108776559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).