(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide

C14H16F2N4O2S — CID 99705566

IUPAC(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@H](c2ccco2)C1
InChIInChI=1S/C14H16F2N4O2S/c1-8-4-5-20(9(7-8)10-3-2-6-22-10)14(21)17-13-19-18-12(23-13)11(15)16/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,17,19,21)/t8-,9-/m0/s1
InChIKeyAOWQDWXCEBXKBY-IUCAKERBSA-N
MW342.37 g/mol
LogP4.07
Rot. Bonds3

About (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide

(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide (PubChem CID 99705566) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
PubChem CID99705566
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC Name(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
SMILESC[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@H](c2ccco2)C1
InChIInChI=1S/C14H16F2N4O2S/c1-8-4-5-20(9(7-8)10-3-2-6-22-10)14(21)17-13-19-18-12(23-13)11(15)16/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,17,19,21)/t8-,9-/m0/s1
InChIKeyAOWQDWXCEBXKBY-IUCAKERBSA-N
XLogP4.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-tert-butylpyrazol-4-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 86816682
N-(4-cyano-1-propan-2-ylpyrazol-3-yl)-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 86799904
(2R)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95193932
cis-(1S,2R)-2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125132569
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide
CID 86799787
(2R,4S)-2-(furan-2-yl)-N-[1-(3-methoxypropyl)pyrazol-3-yl]-4-methylpiperidine-1-carboxamide
CID 99714491
5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid
CID 124692737
5-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]thiophene-3-carboxamide
CID 71989320
N-[(2R)-1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94795898
4-[2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 71869689
N-[2-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 95990597
4-methyl-2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 71989175

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide (CID 99705566) is (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide is C[C@H]1CCN(C(=O)Nc2nnc(C(F)F)s2)[C@H](c2ccco2)C1.
What is the InChIKey of (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
The InChIKey is AOWQDWXCEBXKBY-IUCAKERBSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-8-4-5-20(9(7-8)10-3-2-6-22-10)14(21)17-13-19-18-12(23-13)11(15)16/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,17,19,21)/t8-,9-/m0/s1.
What are the key properties of (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide?
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 99705566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).