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

C19H16N2O3S — CID 19213740

IUPACN-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCCCOc1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1
InChIInChI=1S/C19H16N2O3S/c1-2-9-23-13-7-8-14-17(11-13)25-19(20-14)21-18(22)16-10-12-5-3-4-6-15(12)24-16/h3-8,10-11H,2,9H2,1H3,(H,20,21,22)
InChIKeyDVOWHLCNWOGSEV-UHFFFAOYSA-N
MW352.42 g/mol
LogP5.08
Rot. Bonds5

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

N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 19213740) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID19213740
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCCCOc1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1
InChIInChI=1S/C19H16N2O3S/c1-2-9-23-13-7-8-14-17(11-13)25-19(20-14)21-18(22)16-10-12-5-3-4-6-15(12)24-16/h3-8,10-11H,2,9H2,1H3,(H,20,21,22)
InChIKeyDVOWHLCNWOGSEV-UHFFFAOYSA-N
XLogP5.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 19213737
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
4-methyl-N-(6-propoxy-1,3-benzothiazol-2-yl)benzamide
CID 19213723
N-(1,3-benzothiazol-2-yl)-3-propoxybenzamide
CID 2271389
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346
7-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 40888287
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718281
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-1-benzofuran-2-carboxamide
CID 8718116

Frequently Asked Questions

What is the IUPAC name of N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide (CID 19213740) is N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is CCCOc1ccc2nc(NC(=O)c3cc4ccccc4o3)sc2c1.
What is the InChIKey of N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is DVOWHLCNWOGSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-2-9-23-13-7-8-14-17(11-13)25-19(20-14)21-18(22)16-10-12-5-3-4-6-15(12)24-16/h3-8,10-11H,2,9H2,1H3,(H,20,21,22).
What are the key properties of N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide?
N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propoxy-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19213740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).