5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C19H15N3O3S — CID 2660566

IUPAC5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nc(-c4ccccn4)cs3)c(C)c2c1
InChIInChI=1S/C19H15N3O3S/c1-11-13-9-12(24-2)6-7-16(13)25-17(11)18(23)22-19-21-15(10-26-19)14-5-3-4-8-20-14/h3-10H,1-2H3,(H,21,22,23)
InChIKeyVHJWCYAHCSYBEO-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.52
Rot. Bonds4

About 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2660566) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2660566
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC Name5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nc(-c4ccccn4)cs3)c(C)c2c1
InChIInChI=1S/C19H15N3O3S/c1-11-13-9-12(24-2)6-7-16(13)25-17(11)18(23)22-19-21-15(10-26-19)14-5-3-4-8-20-14/h3-10H,1-2H3,(H,21,22,23)
InChIKeyVHJWCYAHCSYBEO-UHFFFAOYSA-N
XLogP4.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 2660566) is 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3nc(-c4ccccn4)cs3)c(C)c2c1.
What is the InChIKey of 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is VHJWCYAHCSYBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-11-13-9-12(24-2)6-7-16(13)25-17(11)18(23)22-19-21-15(10-26-19)14-5-3-4-8-20-14/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2660566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).