ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C23H22N4O4S2 — CID 55478351

IUPACethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2sc3ncn(C)c(=O)c3c2C)nc1C
InChIInChI=1S/C23H22N4O4S2/c1-5-31-22(30)18-14(3)25-23(33-18)27(11-15-9-7-6-8-10-15)21(29)17-13(2)16-19(32-17)24-12-26(4)20(16)28/h6-10,12H,5,11H2,1-4H3
InChIKeyZZAJONGEYDZTCL-UHFFFAOYSA-N
MW482.59 g/mol
LogP4.09
Rot. Bonds6

About ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 55478351) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID55478351
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC Nameethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2sc3ncn(C)c(=O)c3c2C)nc1C
InChIInChI=1S/C23H22N4O4S2/c1-5-31-22(30)18-14(3)25-23(33-18)27(11-15-9-7-6-8-10-15)21(29)17-13(2)16-19(32-17)24-12-26(4)20(16)28/h6-10,12H,5,11H2,1-4H3
InChIKeyZZAJONGEYDZTCL-UHFFFAOYSA-N
XLogP4.09
TPSA94.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[benzyl-(5-methylpyrazine-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 51484701
N-benzyl-N-(2-methoxyethyl)-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 31236285
ethyl 2-[benzyl-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2368566
ethyl 3-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 18076346
ethyl 2-[benzyl-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55544007
ethyl 2-[benzyl-[2-(trifluoromethylsulfanyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55668327
ethyl 2-[benzyl(quinoline-5-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 52549360
ethyl 2-[benzyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55493868
N-(1-methoxy-3-phenylpropan-2-yl)-N,3,5-trimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 91652184
ethyl 2-[benzyl-[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39963842
ethyl 2-[benzyl-[2-(2-phenoxyethoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55758558
ethyl 2-[benzyl-[2-(2-fluorobenzoyl)oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2511357

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 55478351) is ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2sc3ncn(C)c(=O)c3c2C)nc1C.
What is the InChIKey of ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZZAJONGEYDZTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c1-5-31-22(30)18-14(3)25-23(33-18)27(11-15-9-7-6-8-10-15)21(29)17-13(2)16-19(32-17)24-12-26(4)20(16)28/h6-10,12H,5,11H2,1-4H3.
What are the key properties of ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 482.59 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55478351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).