4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide

C11H15N5OS — CID 47136471

IUPAC4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C11H15N5OS/c1-2-9-10(18-15-14-9)11(17)13-4-3-6-16-7-5-12-8-16/h5,7-8H,2-4,6H2,1H3,(H,13,17)
InChIKeyWBWVABAVWBXOPP-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.12
Rot. Bonds6

About 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide

4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide (PubChem CID 47136471) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide
PubChem CID47136471
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCn1ccnc1
InChIInChI=1S/C11H15N5OS/c1-2-9-10(18-15-14-9)11(17)13-4-3-6-16-7-5-12-8-16/h5,7-8H,2-4,6H2,1H3,(H,13,17)
InChIKeyWBWVABAVWBXOPP-UHFFFAOYSA-N
XLogP1.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.12
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide (CID 47136471) is 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCCn1ccnc1.
What is the InChIKey of 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide?
The InChIKey is WBWVABAVWBXOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-2-9-10(18-15-14-9)11(17)13-4-3-6-16-7-5-12-8-16/h5,7-8H,2-4,6H2,1H3,(H,13,17).
What are the key properties of 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide?
4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-imidazol-1-ylpropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47136471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).