ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

C20H20N4O5S2 — CID 17087351

IUPACethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)Sc2nc(OC)cc(=O)[nH]2)nc1-c1ccccc1
InChIInChI=1S/C20H20N4O5S2/c1-4-29-18(27)16-15(12-8-6-5-7-9-12)23-20(31-16)24-17(26)11(2)30-19-21-13(25)10-14(22-19)28-3/h5-11H,4H2,1-3H3,(H,21,22,25)(H,23,24,26)
InChIKeyLTOCRCNWIHXSIJ-UHFFFAOYSA-N
MW460.54 g/mol
LogP3.20
Rot. Bonds8

About ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate

ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate (PubChem CID 17087351) has the molecular formula C20H20N4O5S2 and a molecular weight of 460.54 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
PubChem CID17087351
Molecular FormulaC20H20N4O5S2
Molecular Weight460.54 g/mol
Exact Mass460.09
IUPAC Nameethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)Sc2nc(OC)cc(=O)[nH]2)nc1-c1ccccc1
InChIInChI=1S/C20H20N4O5S2/c1-4-29-18(27)16-15(12-8-6-5-7-9-12)23-20(31-16)24-17(26)11(2)30-19-21-13(25)10-14(22-19)28-3/h5-11H,4H2,1-3H3,(H,21,22,25)(H,23,24,26)
InChIKeyLTOCRCNWIHXSIJ-UHFFFAOYSA-N
XLogP3.20
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

(2S)-N-(1,3-benzothiazol-2-yl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7450250
(2R)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 135617426
2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylpropanamide
CID 6501404
ethyl 2-[2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzoate
CID 136685506
(2R)-N-(2,6-dimethylphenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 9147422
ethyl 2-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-1,3-benzothiazole-6-carboxylate
CID 136685910
(2R)-N-(2-cyanophenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7450263
ethyl 4-phenyl-2-[[2-(4-propan-2-ylsulfanylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 16838736
ethyl 4-[[(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoyl]amino]benzoate
CID 135829980
(2R)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 135763783
(2R)-N-(4-acetylphenyl)-2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7450221
(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135763798

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate (CID 17087351) is ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C(C)Sc2nc(OC)cc(=O)[nH]2)nc1-c1ccccc1.
What is the InChIKey of ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate?
The InChIKey is LTOCRCNWIHXSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O5S2/c1-4-29-18(27)16-15(12-8-6-5-7-9-12)23-20(31-16)24-17(26)11(2)30-19-21-13(25)10-14(22-19)28-3/h5-11H,4H2,1-3H3,(H,21,22,25)(H,23,24,26).
What are the key properties of ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate?
ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate has a molecular weight of 460.54 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]-4-phenyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 17087351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).