6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile

C19H17N3O4S — CID 70495868

IUPAC6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2nc(-c3cc(C#N)c(=O)[nH]c3C)cs2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4S/c1-10-13(5-12(8-20)18(23)21-10)14-9-27-19(22-14)11-6-15(24-2)17(26-4)16(7-11)25-3/h5-7,9H,1-4H3,(H,21,23)
InChIKeyMSGCEXRUPXEYGF-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.37
Rot. Bonds5

About 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile (PubChem CID 70495868) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile
PubChem CID70495868
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile
SMILESCOc1cc(-c2nc(-c3cc(C#N)c(=O)[nH]c3C)cs2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O4S/c1-10-13(5-12(8-20)18(23)21-10)14-9-27-19(22-14)11-6-15(24-2)17(26-4)16(7-11)25-3/h5-7,9H,1-4H3,(H,21,23)
InChIKeyMSGCEXRUPXEYGF-UHFFFAOYSA-N
XLogP3.37
TPSA97.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile (CID 70495868) is 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile is COc1cc(-c2nc(-c3cc(C#N)c(=O)[nH]c3C)cs2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile?
The InChIKey is MSGCEXRUPXEYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-10-13(5-12(8-20)18(23)21-10)14-9-27-19(22-14)11-6-15(24-2)17(26-4)16(7-11)25-3/h5-7,9H,1-4H3,(H,21,23).
What are the key properties of 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile has a molecular weight of 383.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70495868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).