2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole

C8H13N3S — CID 45496749

IUPAC2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole
SMILESCc1nnc(C2CCCNC2)s1
InChIInChI=1S/C8H13N3S/c1-6-10-11-8(12-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3
InChIKeyADOWKTCTHGQHBM-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.31
Rot. Bonds1

About 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole

2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole (PubChem CID 45496749) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole
PubChem CID45496749
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole
SMILESCc1nnc(C2CCCNC2)s1
InChIInChI=1S/C8H13N3S/c1-6-10-11-8(12-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3
InChIKeyADOWKTCTHGQHBM-UHFFFAOYSA-N
XLogP1.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole (CID 45496749) is 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole is Cc1nnc(C2CCCNC2)s1.
What is the InChIKey of 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole?
The InChIKey is ADOWKTCTHGQHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-10-11-8(12-6)7-3-2-4-9-5-7/h7,9H,2-5H2,1H3.
What are the key properties of 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole?
2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 45496749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).