5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

C14H20N6OS — CID 133448681

IUPAC5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCC(c3nncn3C3CC3)CC2)n1
InChIInChI=1S/C14H20N6OS/c1-21-8-12-16-14(22-18-12)19-6-4-10(5-7-19)13-17-15-9-20(13)11-2-3-11/h9-11H,2-8H2,1H3
InChIKeyOAGVKFBOPKDFJL-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.99
Rot. Bonds5

About 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (PubChem CID 133448681) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
PubChem CID133448681
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCC(c3nncn3C3CC3)CC2)n1
InChIInChI=1S/C14H20N6OS/c1-21-8-12-16-14(22-18-12)19-6-4-10(5-7-19)13-17-15-9-20(13)11-2-3-11/h9-11H,2-8H2,1H3
InChIKeyOAGVKFBOPKDFJL-UHFFFAOYSA-N
XLogP1.99
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole with MolForge

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Related Compounds

5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 126910795
3-(methoxymethyl)-5-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 133448902
3-(methoxymethyl)-5-(4-methylpiperazin-1-yl)-1,2,4-thiadiazole
CID 175647986
5-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 133495967
3-(methoxymethyl)-5-[(3S)-3-(5-methylthiophen-3-yl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 124735975
2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 133448620
3-(methoxymethyl)-5-[4-(4-methoxyphenyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133352235
3-(methoxymethyl)-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 84595563
3-(methoxymethyl)-5-[4-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 171323723
5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 97329516
N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887417
5-[4-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 154828957

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (CID 133448681) is 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is COCc1nsc(N2CCC(c3nncn3C3CC3)CC2)n1.
What is the InChIKey of 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The InChIKey is OAGVKFBOPKDFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-21-8-12-16-14(22-18-12)19-6-4-10(5-7-19)13-17-15-9-20(13)11-2-3-11/h9-11H,2-8H2,1H3.
What are the key properties of 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole has a molecular weight of 320.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133448681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).