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

C15H24F2N4S — CID 75499071

IUPAC2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC1CCCCN1CC1CCCN(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
InChIKeyFTFUAJAEUGQSQX-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.57
Rot. Bonds4

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

2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 75499071) has the molecular formula C15H24F2N4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID75499071
Molecular FormulaC15H24F2N4S
Molecular Weight330.45 g/mol
Exact Mass330.17
IUPAC Name2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC1CCCCN1CC1CCCN(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
InChIKeyFTFUAJAEUGQSQX-UHFFFAOYSA-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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Related Compounds

2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole
CID 129397609
2-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 164637187
2-(4,4-Difluorocyclohexyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 45377642
2-(difluoromethyl)-5-[(3S)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 97803008
2-(difluoromethyl)-5-[(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 97803009
[4-Ethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-2-yl]methanamine
CID 103353530
N-(piperidin-3-ylmethyl)-N-propan-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106643123
N-ethyl-N-(piperidin-3-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106643455
N-(piperidin-3-ylmethyl)-N-propyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106644105
1-[1-[5-(Trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]ethanamine
CID 113587014
N-[[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methyl]propan-2-amine
CID 114449884
[6-Methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-3-yl]methanamine
CID 114449918

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 75499071) is 2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole is CC1CCCCN1CC1CCCN(c2nnc(C(F)F)s2)C1.
What is the InChIKey of 2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is FTFUAJAEUGQSQX-UHFFFAOYSA-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.
What are the key properties of 2-(difluoromethyl)-5-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-(difluoromethyl)-5-[3-[(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-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 75499071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).