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

C13H17N3OS2 — CID 26209843

IUPAC3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2sccc2C)s1
InChIInChI=1S/C13H17N3OS2/c1-3-4-5-6-10-15-16-13(19-10)14-12(17)11-9(2)7-8-18-11/h7-8H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyWUTHRTSWDKXHDU-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.89
Rot. Bonds6

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

3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 26209843) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID26209843
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2sccc2C)s1
InChIInChI=1S/C13H17N3OS2/c1-3-4-5-6-10-15-16-13(19-10)14-12(17)11-9(2)7-8-18-11/h7-8H,3-6H2,1-2H3,(H,14,16,17)
InChIKeyWUTHRTSWDKXHDU-UHFFFAOYSA-N
XLogP3.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.89
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-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 134700188
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567181
4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 166349724
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
5-acetyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18089744
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
2-(4-methoxyphenyl)-4-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 24667908
N-(5-octyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166191053
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 3099838
2-methyl-5-methylsulfonyl-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55551181
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 26209843) is 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCCCCc1nnc(NC(=O)c2sccc2C)s1.
What is the InChIKey of 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is WUTHRTSWDKXHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-3-4-5-6-10-15-16-13(19-10)14-12(17)11-9(2)7-8-18-11/h7-8H,3-6H2,1-2H3,(H,14,16,17).
What are the key properties of 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 26209843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).