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

C8H11N3S — CID 178037070

IUPAC3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESCC1=C(c2cnsn2)CNCC1
InChIInChI=1S/C8H11N3S/c1-6-2-3-9-4-7(6)8-5-10-12-11-8/h5,9H,2-4H2,1H3
InChIKeyAZQKKDWTZMPNFB-UHFFFAOYSA-N
MW181.26 g/mol
LogP1.30
Rot. Bonds1

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

3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (PubChem CID 178037070) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
PubChem CID178037070
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
SMILESCC1=C(c2cnsn2)CNCC1
InChIInChI=1S/C8H11N3S/c1-6-2-3-9-4-7(6)8-5-10-12-11-8/h5,9H,2-4H2,1H3
InChIKeyAZQKKDWTZMPNFB-UHFFFAOYSA-N
XLogP1.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
CID 19705379
3-methyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
CID 130886051
4-methyl-5-(4-methylthiophen-3-yl)-1,2,3,6-tetrahydropyridine
CID 178037057
2-cyclopropyl-5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,3-thiazole
CID 178037077
5-[4-(difluoromethylsulfanyl)phenyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 114270092
3-(3H-dithiol-4-yl)-1,2,5-thiadiazole
CID 141258916
4-(1,2,5-thiadiazol-3-yl)phenol
CID 137292619
4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine
CID 114270095
4-(4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)-1,3-thiazole
CID 114737819
3-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 155977909
3-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole
CID 19075418
2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 98009854

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The IUPAC name of 3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole (CID 178037070) is 3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is CC1=C(c2cnsn2)CNCC1.
What is the InChIKey of 3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
The InChIKey is AZQKKDWTZMPNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c1-6-2-3-9-4-7(6)8-5-10-12-11-8/h5,9H,2-4H2,1H3.
What are the key properties of 3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole?
3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole has a molecular weight of 181.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole is sourced from PubChem (CID 178037070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).