4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide

C15H26N4OS — CID 56701372

IUPAC4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCC1CCCN(C(C)C)C1
InChIInChI=1S/C15H26N4OS/c1-4-13-14(21-18-17-13)15(20)16-8-7-12-6-5-9-19(10-12)11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyPUHNXIBGIAFBSI-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.34
Rot. Bonds6

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

4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 56701372) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID56701372
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC Name4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCC1CCCN(C(C)C)C1
InChIInChI=1S/C15H26N4OS/c1-4-13-14(21-18-17-13)15(20)16-8-7-12-6-5-9-19(10-12)11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20)
InChIKeyPUHNXIBGIAFBSI-UHFFFAOYSA-N
XLogP2.34
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide (CID 56701372) is 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCC1CCCN(C(C)C)C1.
What is the InChIKey of 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is PUHNXIBGIAFBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-13-14(21-18-17-13)15(20)16-8-7-12-6-5-9-19(10-12)11(2)3/h11-12H,4-10H2,1-3H3,(H,16,20).
What are the key properties of 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 310.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 56701372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).