methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate

C14H16N2O3S — CID 107039759

IUPACmethyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Cc2ccc(OC)nc2)n1
InChIInChI=1S/C14H16N2O3S/c1-18-12-5-3-10(8-15-12)7-13-16-11(9-20-13)4-6-14(17)19-2/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyMPPOWGNWKIRHGQ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.24
Rot. Bonds6

About methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate

methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate (PubChem CID 107039759) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
PubChem CID107039759
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namemethyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate
SMILESCOC(=O)CCc1csc(Cc2ccc(OC)nc2)n1
InChIInChI=1S/C14H16N2O3S/c1-18-12-5-3-10(8-15-12)7-13-16-11(9-20-13)4-6-14(17)19-2/h3,5,8-9H,4,6-7H2,1-2H3
InChIKeyMPPOWGNWKIRHGQ-UHFFFAOYSA-N
XLogP2.24
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]ethanethiol
CID 112753795
methyl 3-[2-(2-methoxyethyl)-1,3-thiazol-4-yl]propanoate
CID 107039799
methyl 3-[2-[(2,6-dichlorophenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 107039673
methyl 3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]propanoate
CID 94256912
methyl 3-[2-[(6-methyl-3-pyridinyl)methylamino]-1,3-thiazol-4-yl]propanoate
CID 107040356
methyl 3-[2-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-yl]propanoate
CID 107039676
methyl 3-[2-(propoxymethyl)-1,3-thiazol-4-yl]propanoate
CID 107039684
methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
methyl 2-[(6-methoxy-3-pyridinyl)methylsulfanyl]acetate
CID 123951100
2-[2-[(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanol
CID 94268207
ethyl 3-[2-[(3-methoxyphenyl)methyl]-1,3-thiazol-4-yl]propanoate
CID 103485447
methyl 3-[2-(dimethylamino)-1,3-thiazol-4-yl]propanoate
CID 107039652

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate?
The IUPAC name of methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate (CID 107039759) is methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate is COC(=O)CCc1csc(Cc2ccc(OC)nc2)n1.
What is the InChIKey of methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate?
The InChIKey is MPPOWGNWKIRHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-12-5-3-10(8-15-12)7-13-16-11(9-20-13)4-6-14(17)19-2/h3,5,8-9H,4,6-7H2,1-2H3.
What are the key properties of methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate?
methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate has a molecular weight of 292.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(6-methoxy-3-pyridinyl)methyl]-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 107039759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).