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

C15H26N4S — CID 97120364

IUPAC2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC[C@@H](CN3CCC(C)CC3)C2)s1
InChIInChI=1S/C15H26N4S/c1-12-5-8-18(9-6-12)10-14-4-3-7-19(11-14)15-17-16-13(2)20-15/h12,14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyZQNJEWRDGONXOJ-AWEZNQCLSA-N
MW294.47 g/mol
LogP2.79
Rot. Bonds3

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

2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 97120364) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID97120364
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole
SMILESCc1nnc(N2CCC[C@@H](CN3CCC(C)CC3)C2)s1
InChIInChI=1S/C15H26N4S/c1-12-5-8-18(9-6-12)10-14-4-3-7-19(11-14)15-17-16-13(2)20-15/h12,14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyZQNJEWRDGONXOJ-AWEZNQCLSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole (CID 97120364) is 2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole is Cc1nnc(N2CCC[C@@H](CN3CCC(C)CC3)C2)s1.
What is the InChIKey of 2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is ZQNJEWRDGONXOJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4S/c1-12-5-8-18(9-6-12)10-14-4-3-7-19(11-14)15-17-16-13(2)20-15/h12,14H,3-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole?
2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 294.47 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 97120364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).