7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C13H9ClN2O2S — CID 8004356

IUPAC7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nccs2)oc2c(Cl)cccc12
InChIInChI=1S/C13H9ClN2O2S/c1-7-8-3-2-4-9(14)11(8)18-10(7)12(17)16-13-15-5-6-19-13/h2-6H,1H3,(H,15,16,17)
InChIKeyUGYBZLUBNABDIM-UHFFFAOYSA-N
MW292.75 g/mol
LogP4.10
Rot. Bonds2

About 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 8004356) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID8004356
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nccs2)oc2c(Cl)cccc12
InChIInChI=1S/C13H9ClN2O2S/c1-7-8-3-2-4-9(14)11(8)18-10(7)12(17)16-13-15-5-6-19-13/h2-6H,1H3,(H,15,16,17)
InChIKeyUGYBZLUBNABDIM-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 8004356) is 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nccs2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is UGYBZLUBNABDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-7-8-3-2-4-9(14)11(8)18-10(7)12(17)16-13-15-5-6-19-13/h2-6H,1H3,(H,15,16,17).
What are the key properties of 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8004356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).