4-[(4-methylpiperidin-1-yl)methyl]thiadiazole

C9H15N3S — CID 58990381

IUPAC4-[(4-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CCN(Cc2csnn2)CC1
InChIInChI=1S/C9H15N3S/c1-8-2-4-12(5-3-8)6-9-7-13-11-10-9/h7-8H,2-6H2,1H3
InChIKeyJKYFYOSNZWTYGK-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.77
Rot. Bonds2

About 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole

4-[(4-methylpiperidin-1-yl)methyl]thiadiazole (PubChem CID 58990381) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name4-[(4-methylpiperidin-1-yl)methyl]thiadiazole
PubChem CID58990381
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-[(4-methylpiperidin-1-yl)methyl]thiadiazole
SMILESCC1CCN(Cc2csnn2)CC1
InChIInChI=1S/C9H15N3S/c1-8-2-4-12(5-3-8)6-9-7-13-11-10-9/h7-8H,2-6H2,1H3
InChIKeyJKYFYOSNZWTYGK-UHFFFAOYSA-N
XLogP1.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole?
The IUPAC name of 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole (CID 58990381) is 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole.
What is the SMILES notation for 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole?
The canonical SMILES for 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole is CC1CCN(Cc2csnn2)CC1.
What is the InChIKey of 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole?
The InChIKey is JKYFYOSNZWTYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-8-2-4-12(5-3-8)6-9-7-13-11-10-9/h7-8H,2-6H2,1H3.
What are the key properties of 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole?
4-[(4-methylpiperidin-1-yl)methyl]thiadiazole has a molecular weight of 197.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperidin-1-yl)methyl]thiadiazole is sourced from PubChem (CID 58990381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).