3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole

C9H13N3S — CID 14763504

IUPAC3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole
SMILESCc1nsc(C2=CCCN(C)C2)n1
InChIInChI=1S/C9H13N3S/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h4H,3,5-6H2,1-2H3
InChIKeyCMKCEMCPMOKOOH-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.57
Rot. Bonds1

About 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole

3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole (PubChem CID 14763504) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole
PubChem CID14763504
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole
SMILESCc1nsc(C2=CCCN(C)C2)n1
InChIInChI=1S/C9H13N3S/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h4H,3,5-6H2,1-2H3
InChIKeyCMKCEMCPMOKOOH-UHFFFAOYSA-N
XLogP1.57
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole (CID 14763504) is 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole is Cc1nsc(C2=CCCN(C)C2)n1.
What is the InChIKey of 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole?
The InChIKey is CMKCEMCPMOKOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h4H,3,5-6H2,1-2H3.
What are the key properties of 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole?
3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole has a molecular weight of 195.29 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 14763504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).