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

C12H14ClN3OS2 — CID 134700188

IUPAC3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2sccc2Cl)s1
InChIInChI=1S/C12H14ClN3OS2/c1-2-3-4-5-9-15-16-12(19-9)14-11(17)10-8(13)6-7-18-10/h6-7H,2-5H2,1H3,(H,14,16,17)
InChIKeyVZHHKHYPVQPJCW-UHFFFAOYSA-N
MW315.85 g/mol
LogP4.24
Rot. Bonds6

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

3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 134700188) has the molecular formula C12H14ClN3OS2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID134700188
Molecular FormulaC12H14ClN3OS2
Molecular Weight315.85 g/mol
Exact Mass315.03
IUPAC Name3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2sccc2Cl)s1
InChIInChI=1S/C12H14ClN3OS2/c1-2-3-4-5-9-15-16-12(19-9)14-11(17)10-8(13)6-7-18-10/h6-7H,2-5H2,1H3,(H,14,16,17)
InChIKeyVZHHKHYPVQPJCW-UHFFFAOYSA-N
XLogP4.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.24
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
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylthiophene-2-carboxamide
CID 60567181
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
4-ethyl-5-methyl-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 166349724
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dichlorobenzamide
CID 26197202
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
4-chloro-3-(dimethylsulfamoyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55378023
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 134700188) is 3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCCCCc1nnc(NC(=O)c2sccc2Cl)s1.
What is the InChIKey of 3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is VZHHKHYPVQPJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3OS2/c1-2-3-4-5-9-15-16-12(19-9)14-11(17)10-8(13)6-7-18-10/h6-7H,2-5H2,1H3,(H,14,16,17).
What are the key properties of 3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 315.85 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 134700188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).