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

C24H20N6O3S — CID 108772518

IUPACethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Nc1nc2scc(-c3ccccc3OC)n2n1
InChIInChI=1S/C24H20N6O3S/c1-3-33-22(31)17-13-25-20(15-9-5-4-6-10-15)26-21(17)27-23-28-24-30(29-23)18(14-34-24)16-11-7-8-12-19(16)32-2/h4-14H,3H2,1-2H3,(H,25,26,27,29)
InChIKeyPNLUAXQORJRNGY-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.84
Rot. Bonds7

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

ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate (PubChem CID 108772518) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate
PubChem CID108772518
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC Nameethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1Nc1nc2scc(-c3ccccc3OC)n2n1
InChIInChI=1S/C24H20N6O3S/c1-3-33-22(31)17-13-25-20(15-9-5-4-6-10-15)26-21(17)27-23-28-24-30(29-23)18(14-34-24)16-11-7-8-12-19(16)32-2/h4-14H,3H2,1-2H3,(H,25,26,27,29)
InChIKeyPNLUAXQORJRNGY-UHFFFAOYSA-N
XLogP4.84
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

ethyl 4-[(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]-2-phenylpyrimidine-5-carboxylate
CID 108776559
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-(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 2-methyl-4-[(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]pyrimidine-5-carboxylate
CID 108772217
6-(2-methoxyphenyl)-N-(3-methylquinoxalin-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772525
ethyl 4-(4-methoxyanilino)-2-phenylpyrimidine-5-carboxylate
CID 756815
6-(2-methoxyphenyl)-N-(7H-purin-6-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772517
ethyl 4-(2-aminoanilino)-2-phenylpyrimidine-5-carboxylate
CID 20554387
ethyl 4-[[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]pyrimidine-5-carboxylate
CID 108772671
N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752665
(E)-3-(4-ethoxyphenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenylprop-2-enamide
CID 108752624
2-(4-chlorophenyl)-N-[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809594

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate (CID 108772518) is ethyl 4-[[6-(2-methoxyphenyl)-[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-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1Nc1nc2scc(-c3ccccc3OC)n2n1.
What is the InChIKey of ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate?
The InChIKey is PNLUAXQORJRNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c1-3-33-22(31)17-13-25-20(15-9-5-4-6-10-15)26-21(17)27-23-28-24-30(29-23)18(14-34-24)16-11-7-8-12-19(16)32-2/h4-14H,3H2,1-2H3,(H,25,26,27,29).
What are the key properties of ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate?
ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate has a molecular weight of 472.53 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-(2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 108772518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).