3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide

C16H11N3O2S — CID 30550761

IUPAC3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nncs2)oc2c1ccc1ccccc12
InChIInChI=1S/C16H11N3O2S/c1-9-11-7-6-10-4-2-3-5-12(10)14(11)21-13(9)15(20)18-16-19-17-8-22-16/h2-8H,1H3,(H,18,19,20)
InChIKeyYWYXYXRCLJFJOW-UHFFFAOYSA-N
MW309.35 g/mol
LogP4.00
Rot. Bonds2

About 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide (PubChem CID 30550761) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
PubChem CID30550761
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nncs2)oc2c1ccc1ccccc12
InChIInChI=1S/C16H11N3O2S/c1-9-11-7-6-10-4-2-3-5-12(10)14(11)21-13(9)15(20)18-16-19-17-8-22-16/h2-8H,1H3,(H,18,19,20)
InChIKeyYWYXYXRCLJFJOW-UHFFFAOYSA-N
XLogP4.00
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7534992
N-(2,3-dimethylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7946958
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]benzo[g][1]benzofuran-2-carboxamide
CID 166195270
N-(2,5-dichlorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7899905
N-(2-bromo-4-methylphenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7929835
N-(furan-2-ylmethyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7732316
3-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzo[g][1]benzofuran-2-carboxamide
CID 86825646
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
3-methyl-N-[(1R)-1-phenylethyl]benzo[g][1]benzofuran-2-carboxamide
CID 7945436
dimethyl-[3-[2-(3-methylbenzo[g][1]benzofuran-2-carbonyl)hydrazinyl]-3-oxopropyl]azanium
CID 9091198

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide (CID 30550761) is 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nncs2)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is YWYXYXRCLJFJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c1-9-11-7-6-10-4-2-3-5-12(10)14(11)21-13(9)15(20)18-16-19-17-8-22-16/h2-8H,1H3,(H,18,19,20).
What are the key properties of 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,3,4-thiadiazol-2-yl)benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 30550761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).