1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C11H17F2N5O3S2 — CID 136539812

IUPAC1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)C2CCN(CC(F)F)CC2)s1
InChIInChI=1S/C11H17F2N5O3S2/c1-23(20,21)17-11-16-15-10(22-11)14-9(19)7-2-4-18(5-3-7)6-8(12)13/h7-8H,2-6H2,1H3,(H,16,17)(H,14,15,19)
InChIKeyBNCUTVIJTBJGSN-UHFFFAOYSA-N
MW369.42 g/mol
LogP0.83
Rot. Bonds6

About 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 136539812) has the molecular formula C11H17F2N5O3S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID136539812
Molecular FormulaC11H17F2N5O3S2
Molecular Weight369.42 g/mol
Exact Mass369.07
IUPAC Name1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)C2CCN(CC(F)F)CC2)s1
InChIInChI=1S/C11H17F2N5O3S2/c1-23(20,21)17-11-16-15-10(22-11)14-9(19)7-2-4-18(5-3-7)6-8(12)13/h7-8H,2-6H2,1H3,(H,16,17)(H,14,15,19)
InChIKeyBNCUTVIJTBJGSN-UHFFFAOYSA-N
XLogP0.83
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonyl-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 55977883
(2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120624142
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 9450377
1-(2,2-difluoroethyl)-N-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]piperidine-4-carboxamide
CID 138586733
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7718644
1-methylsulfonyl-N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 121029119
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176294
N-[5-(2-cyanoethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 121029136
1-(2,2-difluoroethyl)-N-[4-(4,5-dimethylimidazol-1-yl)phenyl]piperidine-4-carboxamide
CID 166215537
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 18141586
1-methylsulfonyl-N-(5-prop-2-ynylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 121029041
1-(2,2-dimethylpropanoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17224450

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 136539812) is 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is CS(=O)(=O)Nc1nnc(NC(=O)C2CCN(CC(F)F)CC2)s1.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is BNCUTVIJTBJGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N5O3S2/c1-23(20,21)17-11-16-15-10(22-11)14-9(19)7-2-4-18(5-3-7)6-8(12)13/h7-8H,2-6H2,1H3,(H,16,17)(H,14,15,19).
What are the key properties of 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 136539812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).