methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate

C19H19N3O3S — CID 3921454

IUPACmethyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate
SMILESCOC(=O)CCc1sc(Nc2ccccn2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-14-8-6-13(7-9-14)18-15(10-11-17(23)25-2)26-19(22-18)21-16-5-3-4-12-20-16/h3-9,12H,10-11H2,1-2H3,(H,20,21,22)
InChIKeyLDQOFXZDQNITFO-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.06
Rot. Bonds7

About methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate

methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate (PubChem CID 3921454) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate
PubChem CID3921454
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Namemethyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate
SMILESCOC(=O)CCc1sc(Nc2ccccn2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C19H19N3O3S/c1-24-14-8-6-13(7-9-14)18-15(10-11-17(23)25-2)26-19(22-18)21-16-5-3-4-12-20-16/h3-9,12H,10-11H2,1-2H3,(H,20,21,22)
InChIKeyLDQOFXZDQNITFO-UHFFFAOYSA-N
XLogP4.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate?
The IUPAC name of methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate (CID 3921454) is methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate is COC(=O)CCc1sc(Nc2ccccn2)nc1-c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate?
The InChIKey is LDQOFXZDQNITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-24-14-8-6-13(7-9-14)18-15(10-11-17(23)25-2)26-19(22-18)21-16-5-3-4-12-20-16/h3-9,12H,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate?
methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate has a molecular weight of 369.45 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]propanoate is sourced from PubChem (CID 3921454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).