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

C20H17N3O3S — CID 9117671

IUPACN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc2ccccc2o1
InChIInChI=1S/C20H17N3O3S/c24-19(17-11-13-3-1-2-4-16(13)26-17)21-14-5-6-15-18(12-14)27-20(22-15)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2,(H,21,24)
InChIKeyYQPSYVRYILSXBO-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.13
Rot. Bonds3

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

N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 9117671) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
PubChem CID9117671
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc2ccccc2o1
InChIInChI=1S/C20H17N3O3S/c24-19(17-11-13-3-1-2-4-16(13)26-17)21-14-5-6-15-18(12-14)27-20(22-15)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2,(H,21,24)
InChIKeyYQPSYVRYILSXBO-UHFFFAOYSA-N
XLogP4.13
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide (CID 9117671) is N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1cc2ccccc2o1.
What is the InChIKey of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is YQPSYVRYILSXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-19(17-11-13-3-1-2-4-16(13)26-17)21-14-5-6-15-18(12-14)27-20(22-15)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2,(H,21,24).
What are the key properties of N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide?
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9117671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).