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

C12H10N4O2S — CID 79515377

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nnc(N)s3)cc2c1
InChIInChI=1S/C12H10N4O2S/c1-6-2-3-8-7(4-6)5-9(18-8)10(17)14-12-16-15-11(13)19-12/h2-5H,1H3,(H2,13,15)(H,14,16,17)
InChIKeyMLXGZUWNWFQWEW-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.43
Rot. Bonds2

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

N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 79515377) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID79515377
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nnc(N)s3)cc2c1
InChIInChI=1S/C12H10N4O2S/c1-6-2-3-8-7(4-6)5-9(18-8)10(17)14-12-16-15-11(13)19-12/h2-5H,1H3,(H2,13,15)(H,14,16,17)
InChIKeyMLXGZUWNWFQWEW-UHFFFAOYSA-N
XLogP2.43
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-dimethylbenzamide
CID 79513275
N-(2-amino-6-chlorophenyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62084978
N-(6-fluoro-3-pyridinyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103789878
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 55012612
5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 61093527
1-(5-methyl-1-benzofuran-2-yl)ethanone
CID 15549614
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 79513071
N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
CID 79516914
7-methyl-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)chromene-2-carboxamide
CID 4975873
5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 17014859

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide (CID 79515377) is N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)Nc3nnc(N)s3)cc2c1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is MLXGZUWNWFQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-6-2-3-8-7(4-6)5-9(18-8)10(17)14-12-16-15-11(13)19-12/h2-5H,1H3,(H2,13,15)(H,14,16,17).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 274.31 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 79515377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).