3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide

C14H13N3O2S — CID 2219584

IUPAC3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3nnc(C)s3)oc2c1
InChIInChI=1S/C14H13N3O2S/c1-7-4-5-10-8(2)12(19-11(10)6-7)13(18)15-14-17-16-9(3)20-14/h4-6H,1-3H3,(H,15,17,18)
InChIKeyOBFFXAQNXSRJES-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.46
Rot. Bonds2

About 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide

3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2219584) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2219584
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3nnc(C)s3)oc2c1
InChIInChI=1S/C14H13N3O2S/c1-7-4-5-10-8(2)12(19-11(10)6-7)13(18)15-14-17-16-9(3)20-14/h4-6H,1-3H3,(H,15,17,18)
InChIKeyOBFFXAQNXSRJES-UHFFFAOYSA-N
XLogP3.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 6941940
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 17218011
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-[1-(cyanomethyl)pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95754850
3,6-dimethyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 97145494
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 163347428
(3,4-dichlorophenyl)-(3,6-dimethyl-1-benzofuran-2-yl)methanone
CID 60706257
4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747890
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95755232
1-(3,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-one
CID 63638930
7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
CID 4975873

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide (CID 2219584) is 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)Nc3nnc(C)s3)oc2c1.
What is the InChIKey of 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is OBFFXAQNXSRJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-7-4-5-10-8(2)12(19-11(10)6-7)13(18)15-14-17-16-9(3)20-14/h4-6H,1-3H3,(H,15,17,18).
What are the key properties of 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide?
3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2219584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).