3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole

C11H15F2N3S — CID 130467102

IUPAC3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
SMILESC[C@@H]1[C@@H](c2nsc(N3CCCCC3)n2)C1(F)F
InChIInChI=1S/C11H15F2N3S/c1-7-8(11(7,12)13)9-14-10(17-15-9)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyILJBSVDIQMNMHI-SFYZADRCSA-N
MW259.32 g/mol
LogP2.90
Rot. Bonds2

About 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole

3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole (PubChem CID 130467102) has the molecular formula C11H15F2N3S and a molecular weight of 259.32 g/mol. Its IUPAC name is 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
PubChem CID130467102
Molecular FormulaC11H15F2N3S
Molecular Weight259.32 g/mol
Exact Mass259.10
IUPAC Name3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
SMILESC[C@@H]1[C@@H](c2nsc(N3CCCCC3)n2)C1(F)F
InChIInChI=1S/C11H15F2N3S/c1-7-8(11(7,12)13)9-14-10(17-15-9)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyILJBSVDIQMNMHI-SFYZADRCSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole with MolForge

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Related Compounds

3-Methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole
CID 58487588
3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
5-(2-Azabicyclo[4.1.0]heptan-2-yl)-3-ethyl-1,2,4-thiadiazole
CID 126810635
5-[(2,2-Difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazole
CID 137957308
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792112
3-[(1S,3R)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130466721
3-[(1S,3R)-2,2-difluoro-3-iodocyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130467094
3-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130472470
3-[(1S)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216085
3-[(1S)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216086
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691597

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole?
The IUPAC name of 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole (CID 130467102) is 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole is C[C@@H]1[C@@H](c2nsc(N3CCCCC3)n2)C1(F)F.
What is the InChIKey of 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole?
The InChIKey is ILJBSVDIQMNMHI-SFYZADRCSA-N. The full InChI is InChI=1S/C11H15F2N3S/c1-7-8(11(7,12)13)9-14-10(17-15-9)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole?
3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole has a molecular weight of 259.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole is sourced from PubChem (CID 130467102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).