[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate

C19H17N3O3S — CID 7477474

IUPAC[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
SMILESCc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccccn2)cs1
InChIInChI=1S/C19H17N3O3S/c1-13-6-2-3-7-15(13)22-17(23)10-18-21-14(12-26-18)11-25-19(24)16-8-4-5-9-20-16/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeySTQRWNYFQBNGGZ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.38
Rot. Bonds6

About [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate

[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate (PubChem CID 7477474) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
PubChem CID7477474
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
SMILESCc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccccn2)cs1
InChIInChI=1S/C19H17N3O3S/c1-13-6-2-3-7-15(13)22-17(23)10-18-21-14(12-26-18)11-25-19(24)16-8-4-5-9-20-16/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeySTQRWNYFQBNGGZ-UHFFFAOYSA-N
XLogP3.38
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate?
The IUPAC name of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate (CID 7477474) is [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate.
What is the SMILES notation for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate?
The canonical SMILES for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate is Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccccn2)cs1.
What is the InChIKey of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate?
The InChIKey is STQRWNYFQBNGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-13-6-2-3-7-15(13)22-17(23)10-18-21-14(12-26-18)11-25-19(24)16-8-4-5-9-20-16/h2-9,12H,10-11H2,1H3,(H,22,23).
What are the key properties of [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate?
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate has a molecular weight of 367.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate is sourced from PubChem (CID 7477474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).