4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide

C15H21N3OS2 — CID 166349724

IUPAC4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2csc(C)c2CC)s1
InChIInChI=1S/C15H21N3OS2/c1-4-6-7-8-13-17-18-15(21-13)16-14(19)12-9-20-10(3)11(12)5-2/h9H,4-8H2,1-3H3,(H,16,18,19)
InChIKeyAOYHISIMIHOFPV-UHFFFAOYSA-N
MW323.49 g/mol
LogP4.46
Rot. Bonds7

About 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide

4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (PubChem CID 166349724) has the molecular formula C15H21N3OS2 and a molecular weight of 323.49 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
PubChem CID166349724
Molecular FormulaC15H21N3OS2
Molecular Weight323.49 g/mol
Exact Mass323.11
IUPAC Name4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2csc(C)c2CC)s1
InChIInChI=1S/C15H21N3OS2/c1-4-6-7-8-13-17-18-15(21-13)16-14(19)12-9-20-10(3)11(12)5-2/h9H,4-8H2,1-3H3,(H,16,18,19)
InChIKeyAOYHISIMIHOFPV-UHFFFAOYSA-N
XLogP4.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 26209843
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 134700188
4-ethyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
CID 17218005
2,4,5-trimethoxy-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8933648
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567181
N-(5-octyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166191053
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
2-(dimethylamino)-N-(5-octyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 60553366
5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18089744

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide (CID 166349724) is 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is CCCCCc1nnc(NC(=O)c2csc(C)c2CC)s1.
What is the InChIKey of 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is AOYHISIMIHOFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2/c1-4-6-7-8-13-17-18-15(21-13)16-14(19)12-9-20-10(3)11(12)5-2/h9H,4-8H2,1-3H3,(H,16,18,19).
What are the key properties of 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide?
4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 323.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 166349724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).