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

C9H13N3S — CID 130638361

IUPAC2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole
SMILESCC1=CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C9H13N3S/c1-7-3-5-12(6-4-7)9-11-10-8(2)13-9/h3H,4-6H2,1-2H3
InChIKeyKCSNUEVZXBATCR-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.00
Rot. Bonds1

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

2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole (PubChem CID 130638361) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole
PubChem CID130638361
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole
SMILESCC1=CCN(c2nnc(C)s2)CC1
InChIInChI=1S/C9H13N3S/c1-7-3-5-12(6-4-7)9-11-10-8(2)13-9/h3H,4-6H2,1-2H3
InChIKeyKCSNUEVZXBATCR-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole (CID 130638361) is 2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole is CC1=CCN(c2nnc(C)s2)CC1.
What is the InChIKey of 2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole?
The InChIKey is KCSNUEVZXBATCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-7-3-5-12(6-4-7)9-11-10-8(2)13-9/h3H,4-6H2,1-2H3.
What are the key properties of 2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole?
2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole has a molecular weight of 195.29 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 130638361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).