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

C12H15N3O2S — CID 31039084

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
SMILESCCCCc1nnc(NC(=O)c2ccoc2C)s1
InChIInChI=1S/C12H15N3O2S/c1-3-4-5-10-14-15-12(18-10)13-11(16)9-6-7-17-8(9)2/h6-7H,3-5H2,1-2H3,(H,13,15,16)
InChIKeyZHPZTDQCGUUQKY-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.03
Rot. Bonds5

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

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide (PubChem CID 31039084) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
PubChem CID31039084
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
SMILESCCCCc1nnc(NC(=O)c2ccoc2C)s1
InChIInChI=1S/C12H15N3O2S/c1-3-4-5-10-14-15-12(18-10)13-11(16)9-6-7-17-8(9)2/h6-7H,3-5H2,1-2H3,(H,13,15,16)
InChIKeyZHPZTDQCGUUQKY-UHFFFAOYSA-N
XLogP3.03
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 79513071
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
CID 1224004
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]furan-2-carboxylic acid
CID 19029540
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 26209843
4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 166349724
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 18198071
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-methoxybenzamide
CID 26197074
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide (CID 31039084) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide is CCCCc1nnc(NC(=O)c2ccoc2C)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide?
The InChIKey is ZHPZTDQCGUUQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-3-4-5-10-14-15-12(18-10)13-11(16)9-6-7-17-8(9)2/h6-7H,3-5H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 3.03, 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)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 31039084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).