4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

C17H20F2N4OS — CID 136551078

IUPAC4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)s1
InChIInChI=1S/C17H20F2N4OS/c1-11-21-22-16(25-11)20-17(24)23-8-6-12(7-9-23)2-3-13-4-5-14(18)10-15(13)19/h4-5,10,12H,2-3,6-9H2,1H3,(H,20,22,24)
InChIKeyFHGAEICYFRJKJL-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.00
Rot. Bonds4

About 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 136551078) has the molecular formula C17H20F2N4OS and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
PubChem CID136551078
Molecular FormulaC17H20F2N4OS
Molecular Weight366.44 g/mol
Exact Mass366.13
IUPAC Name4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)s1
InChIInChI=1S/C17H20F2N4OS/c1-11-21-22-16(25-11)20-17(24)23-8-6-12(7-9-23)2-3-13-4-5-14(18)10-15(13)19/h4-5,10,12H,2-3,6-9H2,1H3,(H,20,22,24)
InChIKeyFHGAEICYFRJKJL-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide (CID 136551078) is 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is Cc1nnc(NC(=O)N2CCC(CCc3ccc(F)cc3F)CC2)s1.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is FHGAEICYFRJKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4OS/c1-11-21-22-16(25-11)20-17(24)23-8-6-12(7-9-23)2-3-13-4-5-14(18)10-15(13)19/h4-5,10,12H,2-3,6-9H2,1H3,(H,20,22,24).
What are the key properties of 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide?
4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)ethyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136551078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).