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

C18H16N2O2S — CID 134049099

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)C3Cc4ccccc4O3)sc2c1
InChIInChI=1S/C18H16N2O2S/c1-10-7-11(2)16-15(8-10)23-18(19-16)20-17(21)14-9-12-5-3-4-6-13(12)22-14/h3-8,14H,9H2,1-2H3,(H,19,20,21)
InChIKeyAJTZMXKUWHNYNT-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.86
Rot. Bonds2

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 134049099) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID134049099
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)C3Cc4ccccc4O3)sc2c1
InChIInChI=1S/C18H16N2O2S/c1-10-7-11(2)16-15(8-10)23-18(19-16)20-17(21)14-9-12-5-3-4-6-13(12)22-14/h3-8,14H,9H2,1-2H3,(H,19,20,21)
InChIKeyAJTZMXKUWHNYNT-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 154747635
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 18560797
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 7546326
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26687760
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47121329
1-cyclopentyl-3-(4,6-dimethyl-1,3-benzothiazol-2-yl)urea
CID 47193596
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41105143
(2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26693774
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methylphenyl)acetamide
CID 30848217

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 134049099) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1cc(C)c2nc(NC(=O)C3Cc4ccccc4O3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is AJTZMXKUWHNYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-10-7-11(2)16-15(8-10)23-18(19-16)20-17(21)14-9-12-5-3-4-6-13(12)22-14/h3-8,14H,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 134049099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).