ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate

C20H22N4O3S — CID 135894937

IUPACethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCc1c(-c2ccccc2)nc(Nc2nc(C)c(C(=O)OCC)s2)[nH]c1=O
InChIInChI=1S/C20H22N4O3S/c1-4-9-14-15(13-10-7-6-8-11-13)22-19(23-17(14)25)24-20-21-12(3)16(28-20)18(26)27-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyDAKADFNMVVDGGM-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.07
Rot. Bonds7

About ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 135894937) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID135894937
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Nameethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCCc1c(-c2ccccc2)nc(Nc2nc(C)c(C(=O)OCC)s2)[nH]c1=O
InChIInChI=1S/C20H22N4O3S/c1-4-9-14-15(13-10-7-6-8-11-13)22-19(23-17(14)25)24-20-21-12(3)16(28-20)18(26)27-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyDAKADFNMVVDGGM-UHFFFAOYSA-N
XLogP4.07
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
ethyl 4-methyl-2-[[2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 135667047
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
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-[(6-methyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 135744164
ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
ethyl N-(5-bromo-6-oxo-4-phenyl-1H-pyrimidin-2-yl)carbamate
CID 135465944
ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate
CID 139267217
4-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 752797
ethyl 2-[[2-(methylamino)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate;hydrochloride
CID 120703572
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-(cyclohexanecarbonylamino)-4-phenyl-1,3-thiazole-5-carboxylate
CID 3417747

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate (CID 135894937) is ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate is CCCc1c(-c2ccccc2)nc(Nc2nc(C)c(C(=O)OCC)s2)[nH]c1=O.
What is the InChIKey of ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is DAKADFNMVVDGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-4-9-14-15(13-10-7-6-8-11-13)22-19(23-17(14)25)24-20-21-12(3)16(28-20)18(26)27-5-2/h6-8,10-11H,4-5,9H2,1-3H3,(H2,21,22,23,24,25).
What are the key properties of ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 398.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(6-oxo-4-phenyl-5-propyl-1H-pyrimidin-2-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 135894937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).