2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole

C8H13N3S — CID 153277191

IUPAC2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCN1CCC(c2nncs2)CC1
InChIInChI=1S/C8H13N3S/c1-11-4-2-7(3-5-11)8-10-9-6-12-8/h6-7H,2-5H2,1H3
InChIKeyDWDUOCISGCNGQR-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.35
Rot. Bonds1

About 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole

2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole (PubChem CID 153277191) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole
PubChem CID153277191
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole
SMILESCN1CCC(c2nncs2)CC1
InChIInChI=1S/C8H13N3S/c1-11-4-2-7(3-5-11)8-10-9-6-12-8/h6-7H,2-5H2,1H3
InChIKeyDWDUOCISGCNGQR-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole (CID 153277191) is 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole is CN1CCC(c2nncs2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole?
The InChIKey is DWDUOCISGCNGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-11-4-2-7(3-5-11)8-10-9-6-12-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole?
2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 153277191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).