ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C15H16Cl2N4O4S — CID 59732129

IUPACethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)Cc1c(Cl)nc(Nc2nc(C)c(C(=O)OCC)s2)nc1Cl
InChIInChI=1S/C15H16Cl2N4O4S/c1-4-24-9(22)6-8-11(16)19-14(20-12(8)17)21-15-18-7(3)10(26-15)13(23)25-5-2/h4-6H2,1-3H3,(H,18,19,20,21)
InChIKeyQAVHPROJHHCUEH-UHFFFAOYSA-N
MW419.29 g/mol
LogP3.57
Rot. Bonds7

About ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 59732129) has the molecular formula C15H16Cl2N4O4S and a molecular weight of 419.29 g/mol. Its IUPAC name is ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID59732129
Molecular FormulaC15H16Cl2N4O4S
Molecular Weight419.29 g/mol
Exact Mass418.03
IUPAC Nameethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)Cc1c(Cl)nc(Nc2nc(C)c(C(=O)OCC)s2)nc1Cl
InChIInChI=1S/C15H16Cl2N4O4S/c1-4-24-9(22)6-8-11(16)19-14(20-12(8)17)21-15-18-7(3)10(26-15)13(23)25-5-2/h4-6H2,1-3H3,(H,18,19,20,21)
InChIKeyQAVHPROJHHCUEH-UHFFFAOYSA-N
XLogP3.57
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.29
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[[4,6-dichloro-5-(2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 59732122
ethyl 2-[[4-chloro-6-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 23545950
ethyl 2-[(4-chloro-6-formylpyrimidin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 23545937
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
ethyl 2-[[5-ethoxycarbonyl-4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16653208
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 4-methyl-2-[[4-(4-methylphenyl)pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 142196608
ethyl 2-[(4-iodo-6,7-dimethoxyquinazolin-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 142196719
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 59732129) is ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)Cc1c(Cl)nc(Nc2nc(C)c(C(=O)OCC)s2)nc1Cl.
What is the InChIKey of ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is QAVHPROJHHCUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O4S/c1-4-24-9(22)6-8-11(16)19-14(20-12(8)17)21-15-18-7(3)10(26-15)13(23)25-5-2/h4-6H2,1-3H3,(H,18,19,20,21).
What are the key properties of ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 419.29 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4,6-dichloro-5-(2-ethoxy-2-oxoethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 59732129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).