4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide

C14H24N4OS — CID 47123940

IUPAC4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C14H24N4OS/c1-3-12-13(20-17-16-12)14(19)15-8-6-10-18-9-5-4-7-11(18)2/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeySVJHWGPJXNAORB-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.09
Rot. Bonds6

About 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide

4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide (PubChem CID 47123940) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
PubChem CID47123940
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C14H24N4OS/c1-3-12-13(20-17-16-12)14(19)15-8-6-10-18-9-5-4-7-11(18)2/h11H,3-10H2,1-2H3,(H,15,19)
InChIKeySVJHWGPJXNAORB-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

4-ethyl-N-[(2S)-2-[(2S)-2-methylpiperidin-1-yl]propyl]thiadiazole-5-carboxamide
CID 92863122
5-(methylamino)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617943
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 62794675
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63037909
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-methylsulfanylbenzamide
CID 9473480
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
5-ethyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92870226

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide (CID 47123940) is 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCCN1CCCCC1C.
What is the InChIKey of 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide?
The InChIKey is SVJHWGPJXNAORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-12-13(20-17-16-12)14(19)15-8-6-10-18-9-5-4-7-11(18)2/h11H,3-10H2,1-2H3,(H,15,19).
What are the key properties of 4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide?
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 2.09, 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-(2-methylpiperidin-1-yl)propyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47123940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).