4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide

C11H15N5OS — CID 75510221

IUPAC4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCc1cncn1C
InChIInChI=1S/C11H15N5OS/c1-3-9-10(18-15-14-9)11(17)13-5-4-8-6-12-7-16(8)2/h6-7H,3-5H2,1-2H3,(H,13,17)
InChIKeyHPNMYLNWGBLUAX-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.81
Rot. Bonds5

About 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide

4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 75510221) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID75510221
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCc1cncn1C
InChIInChI=1S/C11H15N5OS/c1-3-9-10(18-15-14-9)11(17)13-5-4-8-6-12-7-16(8)2/h6-7H,3-5H2,1-2H3,(H,13,17)
InChIKeyHPNMYLNWGBLUAX-UHFFFAOYSA-N
XLogP0.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide (CID 75510221) is 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCc1cncn1C.
What is the InChIKey of 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is HPNMYLNWGBLUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-9-10(18-15-14-9)11(17)13-5-4-8-6-12-7-16(8)2/h6-7H,3-5H2,1-2H3,(H,13,17).
What are the key properties of 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(3-methylimidazol-4-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 75510221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).