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

C14H17N3O2S2 — CID 18089744

IUPAC5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccc(C(C)=O)s2)s1
InChIInChI=1S/C14H17N3O2S2/c1-3-4-5-6-12-16-17-14(21-12)15-13(19)11-8-7-10(20-11)9(2)18/h7-8H,3-6H2,1-2H3,(H,15,17,19)
InChIKeyAKAHLWHSXUKIFA-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.79
Rot. Bonds7

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

5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 18089744) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID18089744
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC Name5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccc(C(C)=O)s2)s1
InChIInChI=1S/C14H17N3O2S2/c1-3-4-5-6-12-16-17-14(21-12)15-13(19)11-8-7-10(20-11)9(2)18/h7-8H,3-6H2,1-2H3,(H,15,17,19)
InChIKeyAKAHLWHSXUKIFA-UHFFFAOYSA-N
XLogP3.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-octyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166191053
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-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567181
3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 18089744) is 5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCCCCc1nnc(NC(=O)c2ccc(C(C)=O)s2)s1.
What is the InChIKey of 5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is AKAHLWHSXUKIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-3-4-5-6-12-16-17-14(21-12)15-13(19)11-8-7-10(20-11)9(2)18/h7-8H,3-6H2,1-2H3,(H,15,17,19).
What are the key properties of 5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18089744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).