4-(1-methylpiperidin-2-yl)thiadiazole

C8H13N3S — CID 90753932

IUPAC4-(1-methylpiperidin-2-yl)thiadiazole
SMILESCN1CCCCC1c1csnn1
InChIInChI=1S/C8H13N3S/c1-11-5-3-2-4-8(11)7-6-12-10-9-7/h6,8H,2-5H2,1H3
InChIKeyMRCKDAFMMPOOHT-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.69
Rot. Bonds1

About 4-(1-methylpiperidin-2-yl)thiadiazole

4-(1-methylpiperidin-2-yl)thiadiazole (PubChem CID 90753932) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-(1-methylpiperidin-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(1-methylpiperidin-2-yl)thiadiazole
PubChem CID90753932
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name4-(1-methylpiperidin-2-yl)thiadiazole
SMILESCN1CCCCC1c1csnn1
InChIInChI=1S/C8H13N3S/c1-11-5-3-2-4-8(11)7-6-12-10-9-7/h6,8H,2-5H2,1H3
InChIKeyMRCKDAFMMPOOHT-UHFFFAOYSA-N
XLogP1.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-2-yl)thiadiazole?
The IUPAC name of 4-(1-methylpiperidin-2-yl)thiadiazole (CID 90753932) is 4-(1-methylpiperidin-2-yl)thiadiazole.
What is the SMILES notation for 4-(1-methylpiperidin-2-yl)thiadiazole?
The canonical SMILES for 4-(1-methylpiperidin-2-yl)thiadiazole is CN1CCCCC1c1csnn1.
What is the InChIKey of 4-(1-methylpiperidin-2-yl)thiadiazole?
The InChIKey is MRCKDAFMMPOOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-11-5-3-2-4-8(11)7-6-12-10-9-7/h6,8H,2-5H2,1H3.
What are the key properties of 4-(1-methylpiperidin-2-yl)thiadiazole?
4-(1-methylpiperidin-2-yl)thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-2-yl)thiadiazole is sourced from PubChem (CID 90753932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).