ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate

C15H18N2O3S — CID 84566781

IUPACethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(Cn2ccc(C)cc2=O)n1
InChIInChI=1S/C15H18N2O3S/c1-3-20-15(19)5-4-12-10-21-13(16-12)9-17-7-6-11(2)8-14(17)18/h6-8,10H,3-5,9H2,1-2H3
InChIKeyUPSJYWQGCKSWST-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.16
Rot. Bonds6

About ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate (PubChem CID 84566781) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
PubChem CID84566781
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Nameethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(Cn2ccc(C)cc2=O)n1
InChIInChI=1S/C15H18N2O3S/c1-3-20-15(19)5-4-12-10-21-13(16-12)9-17-7-6-11(2)8-14(17)18/h6-8,10H,3-5,9H2,1-2H3
InChIKeyUPSJYWQGCKSWST-UHFFFAOYSA-N
XLogP2.16
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate with MolForge

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Related Compounds

ethyl 2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazole-4-carboxylate
CID 75366606
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
ethyl 3-[2-(3,5-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 103486000
ethyl 3-[2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 103485505
ethyl 3-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485381
1-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 84566782
ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485447
1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 84566125
ethyl 3-[2-(3,5-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 103486013
ethyl 3-[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]propanoate
CID 103485341
N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 84566142
ethyl 3-[2-[2-ethoxyethyl(methyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488236

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate (CID 84566781) is ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(Cn2ccc(C)cc2=O)n1.
What is the InChIKey of ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate?
The InChIKey is UPSJYWQGCKSWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-3-20-15(19)5-4-12-10-21-13(16-12)9-17-7-6-11(2)8-14(17)18/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate has a molecular weight of 306.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 84566781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).