ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate

C16H14N4O3S — CID 139267217

IUPACethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2nc(-c3ccccc3)cs2)[nH]c1=O
InChIInChI=1S/C16H14N4O3S/c1-2-23-14(22)11-8-17-15(19-13(11)21)20-16-18-12(9-24-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,17,18,19,20,21)
InChIKeyZZQOSFQRHDDSKR-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.81
Rot. Bonds5

About ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate

ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate (PubChem CID 139267217) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate
PubChem CID139267217
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Nameethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2nc(-c3ccccc3)cs2)[nH]c1=O
InChIInChI=1S/C16H14N4O3S/c1-2-23-14(22)11-8-17-15(19-13(11)21)20-16-18-12(9-24-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,17,18,19,20,21)
InChIKeyZZQOSFQRHDDSKR-UHFFFAOYSA-N
XLogP2.81
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one
CID 135894942
ethyl 2-(4-chlorophenyl)-4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pyrimidine-5-carboxylate
CID 108777934
diethyl 2-(hydroxymethyl)-6-methyl-4-[2-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 88647098
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 52636195
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 2-methylbenzoate
CID 23989459
ethyl 3-[4-(2-anilino-1,3-thiazol-4-yl)phenoxy]-2,2-dimethylpropanoate
CID 59117283
ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
CID 12901694
ethyl 3-oxo-3-(4-phenyl-1,3-thiazol-2-yl)propanoate;ethyl 4-phenyl-1,3-thiazole-2-carboxylate
CID 161224499
ethyl 2-(3-hydroxyphenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 107921729
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-anilino-1,3-thiazole-4-carboxylate
CID 15053537

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate (CID 139267217) is ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(Nc2nc(-c3ccccc3)cs2)[nH]c1=O.
What is the InChIKey of ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate?
The InChIKey is ZZQOSFQRHDDSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-2-23-14(22)11-8-17-15(19-13(11)21)20-16-18-12(9-24-16)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,17,18,19,20,21).
What are the key properties of ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate?
ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate has a molecular weight of 342.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 139267217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).