N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide

C17H11N3O3S — CID 2141383

IUPACN-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C17H11N3O3S/c18-15(21)14-13(9-5-1-3-7-11(9)23-14)20-16(22)17-19-10-6-2-4-8-12(10)24-17/h1-8H,(H2,18,21)(H,20,22)
InChIKeyNPCSIMPBMCETOA-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.39
Rot. Bonds3

About N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide

N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide (PubChem CID 2141383) has the molecular formula C17H11N3O3S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide
PubChem CID2141383
Molecular FormulaC17H11N3O3S
Molecular Weight337.36 g/mol
Exact Mass337.05
IUPAC NameN-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide
SMILESNC(=O)c1oc2ccccc2c1NC(=O)c1nc2ccccc2s1
InChIInChI=1S/C17H11N3O3S/c18-15(21)14-13(9-5-1-3-7-11(9)23-14)20-16(22)17-19-10-6-2-4-8-12(10)24-17/h1-8H,(H2,18,21)(H,20,22)
InChIKeyNPCSIMPBMCETOA-UHFFFAOYSA-N
XLogP3.39
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide (CID 2141383) is N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide is NC(=O)c1oc2ccccc2c1NC(=O)c1nc2ccccc2s1.
What is the InChIKey of N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is NPCSIMPBMCETOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3S/c18-15(21)14-13(9-5-1-3-7-11(9)23-14)20-16(22)17-19-10-6-2-4-8-12(10)24-17/h1-8H,(H2,18,21)(H,20,22).
What are the key properties of N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide?
N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 2141383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).