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

C10H14F2N4OS — CID 120625071

IUPAC(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2nnc(C(F)F)s2)CCN1
InChIInChI=1S/C10H14F2N4OS/c1-5-4-6(2-3-13-5)8(17)14-10-16-15-9(18-10)7(11)12/h5-7,13H,2-4H2,1H3,(H,14,16,17)/t5-,6-/m0/s1
InChIKeyWGAYNCSGIAMXDG-WDSKDSINSA-N
MW276.31 g/mol
LogP1.80
Rot. Bonds3

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

(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide (PubChem CID 120625071) has the molecular formula C10H14F2N4OS and a molecular weight of 276.31 g/mol. Its IUPAC name is (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
PubChem CID120625071
Molecular FormulaC10H14F2N4OS
Molecular Weight276.31 g/mol
Exact Mass276.09
IUPAC Name(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2nnc(C(F)F)s2)CCN1
InChIInChI=1S/C10H14F2N4OS/c1-5-4-6(2-3-13-5)8(17)14-10-16-15-9(18-10)7(11)12/h5-7,13H,2-4H2,1H3,(H,14,16,17)/t5-,6-/m0/s1
InChIKeyWGAYNCSGIAMXDG-WDSKDSINSA-N
XLogP1.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120624142
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119301351
2-methyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 106738614
(2S,4S)-2-methyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 120631372
9-amino-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987466
(2S,4S)-N-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1,3-thiazol-2-yl]-2-methylpiperidine-4-carboxamide
CID 120618742
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpiperidine-4-carboxamide
CID 106739831
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634432
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide (CID 120625071) is (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2nnc(C(F)F)s2)CCN1.
What is the InChIKey of (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide?
The InChIKey is WGAYNCSGIAMXDG-WDSKDSINSA-N. The full InChI is InChI=1S/C10H14F2N4OS/c1-5-4-6(2-3-13-5)8(17)14-10-16-15-9(18-10)7(11)12/h5-7,13H,2-4H2,1H3,(H,14,16,17)/t5-,6-/m0/s1.
What are the key properties of (2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-methylpiperidine-4-carboxamide has a molecular weight of 276.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 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-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120625071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).