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

C12H21N3S — CID 133332877

IUPAC2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCCCC1(C)CCCN(c2nnc(C)s2)C1
InChIInChI=1S/C12H21N3S/c1-4-6-12(3)7-5-8-15(9-12)11-14-13-10(2)16-11/h4-9H2,1-3H3
InChIKeyKQHLCIPDYQTLOU-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.25
Rot. Bonds3

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

2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 133332877) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID133332877
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCCCC1(C)CCCN(c2nnc(C)s2)C1
InChIInChI=1S/C12H21N3S/c1-4-6-12(3)7-5-8-15(9-12)11-14-13-10(2)16-11/h4-9H2,1-3H3
InChIKeyKQHLCIPDYQTLOU-UHFFFAOYSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propylpiperidine-3-carboxylic acid
CID 65209141
2-(3,3-dimethylpiperazin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 82993713
(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97145078
2-(3-methyl-3-propylpiperidin-1-yl)pyridine
CID 133332916
2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole
CID 133480844
2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide
CID 133479395
1-ethyl-3-methyl-3-propylpiperidine
CID 130676337
4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazepane
CID 130619166
5-(3-methyl-3-propylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133484886
(4aS,8aS)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-4a-(prop-2-enoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 98810614
(4aR,8aS)-6-(5-methyl-1,3,4-thiadiazol-2-yl)-4a-(prop-2-enoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97363687
2-[(3R)-3-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperidin-1-yl]-5-ethyl-1,3,4-thiadiazole
CID 97140255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole (CID 133332877) is 2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole is CCCC1(C)CCCN(c2nnc(C)s2)C1.
What is the InChIKey of 2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is KQHLCIPDYQTLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-6-12(3)7-5-8-15(9-12)11-14-13-10(2)16-11/h4-9H2,1-3H3.
What are the key properties of 2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole?
2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 239.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 133332877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).