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

C16H17N3O2S — CID 7920318

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2oc3ccccc3c2C)s1
InChIInChI=1S/C16H17N3O2S/c1-3-4-9-13-18-19-16(22-13)17-15(20)14-10(2)11-7-5-6-8-12(11)21-14/h5-8H,3-4,9H2,1-2H3,(H,17,19,20)
InChIKeyNNWFKPRXHGRAAM-UHFFFAOYSA-N
MW315.40 g/mol
LogP4.19
Rot. Bonds5

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7920318) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7920318
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCCCc1nnc(NC(=O)c2oc3ccccc3c2C)s1
InChIInChI=1S/C16H17N3O2S/c1-3-4-9-13-18-19-16(22-13)17-15(20)14-10(2)11-7-5-6-8-12(11)21-14/h5-8H,3-4,9H2,1-2H3,(H,17,19,20)
InChIKeyNNWFKPRXHGRAAM-UHFFFAOYSA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5336169
N-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 5930483
N-(5-((2,4-dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 659708
N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 672445
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 684730
N-(5-(p-tolyl)-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 695191
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 733781
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 1250258
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 2085072
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 6492571
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 8414062
3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 16347361

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 7920318) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide is CCCCc1nnc(NC(=O)c2oc3ccccc3c2C)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NNWFKPRXHGRAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-3-4-9-13-18-19-16(22-13)17-15(20)14-10(2)11-7-5-6-8-12(11)21-14/h5-8H,3-4,9H2,1-2H3,(H,17,19,20).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7920318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).