3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide

C21H19N3O3S — CID 9400565

IUPAC3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)oc2ccccc12
InChIInChI=1S/C21H19N3O3S/c1-13-15-4-2-3-5-17(15)27-19(13)20(25)22-14-6-7-16-18(12-14)28-21(23-16)24-8-10-26-11-9-24/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyGOXDLFNPACRWKQ-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.44
Rot. Bonds3

About 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide

3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 9400565) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
PubChem CID9400565
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)oc2ccccc12
InChIInChI=1S/C21H19N3O3S/c1-13-15-4-2-3-5-17(15)27-19(13)20(25)22-14-6-7-16-18(12-14)28-21(23-16)24-8-10-26-11-9-24/h2-7,12H,8-11H2,1H3,(H,22,25)
InChIKeyGOXDLFNPACRWKQ-UHFFFAOYSA-N
XLogP4.44
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (CID 9400565) is 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is GOXDLFNPACRWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13-15-4-2-3-5-17(15)27-19(13)20(25)22-14-6-7-16-18(12-14)28-21(23-16)24-8-10-26-11-9-24/h2-7,12H,8-11H2,1H3,(H,22,25).
What are the key properties of 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9400565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).