2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

C18H25N5S — CID 53324464

IUPAC2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1
InChIInChI=1S/C18H25N5S/c1-14-6-5-7-16(19-14)17-20-21-18(24-17)23-12-8-15(9-13-23)22-10-3-2-4-11-22/h5-7,15H,2-4,8-13H2,1H3
InChIKeyFMTZRGIECSUADZ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.36
Rot. Bonds3

About 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 53324464) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID53324464
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1
InChIInChI=1S/C18H25N5S/c1-14-6-5-7-16(19-14)17-20-21-18(24-17)23-12-8-15(9-13-23)22-10-3-2-4-11-22/h5-7,15H,2-4,8-13H2,1H3
InChIKeyFMTZRGIECSUADZ-UHFFFAOYSA-N
XLogP3.36
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Piperidin-1-ylpiperidin-1-yl)-5-pyridin-2-yl-1,3,4-thiadiazole
CID 53317858
2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole
CID 62705088
2-(4-piperidin-1-ylpiperidin-1-yl)-5-(5-pyridin-2-yl-3,4-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole
CID 62705090
2-(4-Piperidin-1-ylpiperidin-1-yl)-5-pyrazolo[1,5-a]pyridin-7-yl-1,3,4-thiadiazole
CID 70694268
1-Ethyl-4-[5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl]piperazine
CID 75450327
N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 129613848
2-(4,6-Dimethyl-2-pyridinyl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanethione
CID 160038341
2-(4-Phenylpiperazin-1-yl)-5-((pyridin-2-ylmethyl)thio)-1,3,4-thiadiazole
CID 30863343
1-[(6-Methylpyridin-2-YL)methyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-YL]piperazine
CID 74235138
N-[(6-methyl-2-pyridinyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586109
N-[2-(6-methyl-2-pyridinyl)ethyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 121498224
N-(4-fluorophenyl)-1-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 133442625

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 53324464) is 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is Cc1cccc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is FMTZRGIECSUADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-14-6-5-7-16(19-14)17-20-21-18(24-17)23-12-8-15(9-13-23)22-10-3-2-4-11-22/h5-7,15H,2-4,8-13H2,1H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 343.50 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 53324464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).