N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide

C10H11N3O2S — CID 2098700

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(C)o2)s1
InChIInChI=1S/C10H11N3O2S/c1-3-8-12-13-10(16-8)11-9(14)7-5-4-6(2)15-7/h4-5H,3H2,1-2H3,(H,11,13,14)
InChIKeyUVEDWVMZOQEDIJ-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.25
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide (PubChem CID 2098700) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide
PubChem CID2098700
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc(C)o2)s1
InChIInChI=1S/C10H11N3O2S/c1-3-8-12-13-10(16-8)11-9(14)7-5-4-6(2)15-7/h4-5H,3H2,1-2H3,(H,11,13,14)
InChIKeyUVEDWVMZOQEDIJ-UHFFFAOYSA-N
XLogP2.25
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
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-methylsulfanyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 836941
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-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 795340
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 874241
N-[5-(1-propylbutyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 976184
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 1250258

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide (CID 2098700) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide is CCc1nnc(NC(=O)c2ccc(C)o2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide?
The InChIKey is UVEDWVMZOQEDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-3-8-12-13-10(16-8)11-9(14)7-5-4-6(2)15-7/h4-5H,3H2,1-2H3,(H,11,13,14).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide has a molecular weight of 237.28 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 2098700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).