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

C18H13N3O2S — CID 8924029

IUPAC3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3ccccn3)cs2)oc2ccccc12
InChIInChI=1S/C18H13N3O2S/c1-11-12-6-2-3-8-15(12)23-16(11)17(22)21-18-20-14(10-24-18)13-7-4-5-9-19-13/h2-10H,1H3,(H,20,21,22)
InChIKeyVMAZQTQKKSBCEB-UHFFFAOYSA-N
MW335.39 g/mol
LogP4.51
Rot. Bonds3

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

3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 8924029) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID8924029
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3ccccn3)cs2)oc2ccccc12
InChIInChI=1S/C18H13N3O2S/c1-11-12-6-2-3-8-15(12)23-16(11)17(22)21-18-20-14(10-24-18)13-7-4-5-9-19-13/h2-10H,1H3,(H,20,21,22)
InChIKeyVMAZQTQKKSBCEB-UHFFFAOYSA-N
XLogP4.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 8924029) is 3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc(-c3ccccn3)cs2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is VMAZQTQKKSBCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-11-12-6-2-3-8-15(12)23-16(11)17(22)21-18-20-14(10-24-18)13-7-4-5-9-19-13/h2-10H,1H3,(H,20,21,22).
What are the key properties of 3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8924029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).