3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C19H15N3O2S — CID 60567420

IUPAC3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3cccnc3)cs2)oc2c(C)cccc12
InChIInChI=1S/C19H15N3O2S/c1-11-5-3-7-14-12(2)17(24-16(11)14)18(23)22-19-21-15(10-25-19)13-6-4-8-20-9-13/h3-10H,1-2H3,(H,21,22,23)
InChIKeyOGTWUSQOFGNKEX-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.82
Rot. Bonds3

About 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 60567420) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID60567420
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc(-c3cccnc3)cs2)oc2c(C)cccc12
InChIInChI=1S/C19H15N3O2S/c1-11-5-3-7-14-12(2)17(24-16(11)14)18(23)22-19-21-15(10-25-19)13-6-4-8-20-9-13/h3-10H,1-2H3,(H,21,22,23)
InChIKeyOGTWUSQOFGNKEX-UHFFFAOYSA-N
XLogP4.82
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 2524131
2-hydroxy-3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 78895805
6-methyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 18151055
7-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7921774
7-chloro-N-[4-[4-(methanesulfonamido)phenyl]-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 24568289
3,5-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 8892667
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 16547031
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
3-methoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 110446009
2-methyl-5-methylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 134018376
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7940721
2,5-dimethyl-1-(2-methylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 55467738

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 60567420) is 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc(-c3cccnc3)cs2)oc2c(C)cccc12.
What is the InChIKey of 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is OGTWUSQOFGNKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-11-5-3-7-14-12(2)17(24-16(11)14)18(23)22-19-21-15(10-25-19)13-6-4-8-20-9-13/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 60567420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).