4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide

C14H24N4OS — CID 43045391

IUPAC4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C14H24N4OS/c1-3-12-13(20-17-16-12)14(19)15-7-4-8-18-9-5-11(2)6-10-18/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyBRCUIBHTSJBAPS-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.95
Rot. Bonds6

About 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide

4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide (PubChem CID 43045391) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
PubChem CID43045391
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCN1CCC(C)CC1
InChIInChI=1S/C14H24N4OS/c1-3-12-13(20-17-16-12)14(19)15-7-4-8-18-9-5-11(2)6-10-18/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeyBRCUIBHTSJBAPS-UHFFFAOYSA-N
XLogP1.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide (CID 43045391) is 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCCN1CCC(C)CC1.
What is the InChIKey of 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide?
The InChIKey is BRCUIBHTSJBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-12-13(20-17-16-12)14(19)15-7-4-8-18-9-5-11(2)6-10-18/h11H,3-10H2,1-2H3,(H,15,19).
What are the key properties of 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide?
4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 43045391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).