4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide

C11H18N4O2S — CID 24515338

IUPAC4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C11H18N4O2S/c1-4-8-9(18-15-14-8)11(17)13-6-5-12-10(16)7(2)3/h7H,4-6H2,1-3H3,(H,12,16)(H,13,17)
InChIKeyYFONGDIDSUXCCJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.60
Rot. Bonds6

About 4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide

4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide (PubChem CID 24515338) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
PubChem CID24515338
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCNC(=O)C(C)C
InChIInChI=1S/C11H18N4O2S/c1-4-8-9(18-15-14-8)11(17)13-6-5-12-10(16)7(2)3/h7H,4-6H2,1-3H3,(H,12,16)(H,13,17)
InChIKeyYFONGDIDSUXCCJ-UHFFFAOYSA-N
XLogP0.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide (CID 24515338) is 4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCNC(=O)C(C)C.
What is the InChIKey of 4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide?
The InChIKey is YFONGDIDSUXCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-4-8-9(18-15-14-8)11(17)13-6-5-12-10(16)7(2)3/h7H,4-6H2,1-3H3,(H,12,16)(H,13,17).
What are the key properties of 4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide has a molecular weight of 270.36 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 24515338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).