2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole

C15H24F2N4S — CID 124845183

IUPAC2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESC[C@@H]1CCCCN1C[C@H]1CCCN(c2nnc(C(F)F)s2)C1
InChIInChI=1S/C15H24F2N4S/c1-11-5-2-3-7-20(11)9-12-6-4-8-21(10-12)15-19-18-14(22-15)13(16)17/h11-13H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyFTFUAJAEUGQSQX-VXGBXAGGSA-N
MW330.45 g/mol
LogP3.57
Rot. Bonds4

About 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole

2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 124845183) has the molecular formula C15H24F2N4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID124845183
Molecular FormulaC15H24F2N4S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC Name2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESC[C@@H]1CCCCN1C[C@H]1CCCN(c2nnc(C(F)F)s2)C1
InChIInChI=1S/C15H24F2N4S/c1-11-5-2-3-7-20(11)9-12-6-4-8-21(10-12)15-19-18-14(22-15)13(16)17/h11-13H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyFTFUAJAEUGQSQX-VXGBXAGGSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 124845183) is 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole is C[C@@H]1CCCCN1C[C@H]1CCCN(c2nnc(C(F)F)s2)C1.
What is the InChIKey of 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is FTFUAJAEUGQSQX-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H24F2N4S/c1-11-5-2-3-7-20(11)9-12-6-4-8-21(10-12)15-19-18-14(22-15)13(16)17/h11-13H,2-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 330.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 124845183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).