5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole

C10H13N3S — CID 123190900

IUPAC5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole
SMILESCc1nc(C=CC2=CCNCC2)ns1
InChIInChI=1S/C10H13N3S/c1-8-12-10(13-14-8)3-2-9-4-6-11-7-5-9/h2-4,11H,5-7H2,1H3
InChIKeyHDKKDCLIRWHYCY-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.78
Rot. Bonds2

About 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole

5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole (PubChem CID 123190900) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole
PubChem CID123190900
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole
SMILESCc1nc(C=CC2=CCNCC2)ns1
InChIInChI=1S/C10H13N3S/c1-8-12-10(13-14-8)3-2-9-4-6-11-7-5-9/h2-4,11H,5-7H2,1H3
InChIKeyHDKKDCLIRWHYCY-UHFFFAOYSA-N
XLogP1.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1Z)-buta-1,3-dienyl]-1,2,3,6-tetrahydropyridine
CID 89245531
4-buta-1,3-dienyl-1,2,3,6-tetrahydropyridine
CID 20655803
1,2,3,6-tetrahydropyridine-4-carbaldehyde
CID 21284372
2,3,4,7-tetrahydro-1H-azepine-5-carbaldehyde
CID 145058993
3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
CID 130886051
4-ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
tert-butyl-dimethyl-(1,2,3,6-tetrahydropyridin-4-yloxy)silane
CID 154410183
4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
CID 71758030
6-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58130150
5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 107489073
5-methyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 142391657
5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2,4-thiadiazole;hydrochloride
CID 154673770

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole?
The IUPAC name of 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole (CID 123190900) is 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole is Cc1nc(C=CC2=CCNCC2)ns1.
What is the InChIKey of 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole?
The InChIKey is HDKKDCLIRWHYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-8-12-10(13-14-8)3-2-9-4-6-11-7-5-9/h2-4,11H,5-7H2,1H3.
What are the key properties of 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole?
5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole has a molecular weight of 207.30 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethenyl]-1,2,4-thiadiazole is sourced from PubChem (CID 123190900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).