5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

C17H25N5O2S — CID 154575348

IUPAC5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCC(COc3ccc(C(C)(C)C)nn3)C2)n1
InChIInChI=1S/C17H25N5O2S/c1-17(2,3)13-5-6-15(20-19-13)24-10-12-7-8-22(9-12)16-18-14(11-23-4)21-25-16/h5-6,12H,7-11H2,1-4H3
InChIKeyBZAWPVIYRUKNMR-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.68
Rot. Bonds6

About 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole

5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (PubChem CID 154575348) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
PubChem CID154575348
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
SMILESCOCc1nsc(N2CCC(COc3ccc(C(C)(C)C)nn3)C2)n1
InChIInChI=1S/C17H25N5O2S/c1-17(2,3)13-5-6-15(20-19-13)24-10-12-7-8-22(9-12)16-18-14(11-23-4)21-25-16/h5-6,12H,7-11H2,1-4H3
InChIKeyBZAWPVIYRUKNMR-UHFFFAOYSA-N
XLogP2.68
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole with MolForge

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Related Compounds

3-Methyl-6-{2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethoxy}pyridazine
CID 126861837
3-{2-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethoxy}-6-methylpyridazine
CID 126861981
3-Methyl-6-{[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methoxy}pyridazine
CID 145869018
3-{[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methoxy}-6-methylpyridazine
CID 154575304
3-Cyclopropyl-6-{[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methoxy}pyridazine
CID 154575305
3-Cyclopropyl-6-{[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methoxy}pyridazine
CID 154575357
3-tert-butyl-6-({1-[(1-methyl-1H-imidazol-2-yl)sulfonyl]pyrrolidin-3-yl}methoxy)pyridazine
CID 154576227
5-[3-({5H,6H,7H-cyclopenta[c]pyridazin-3-yloxy}methyl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 155974531
6-{[1-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methoxy}-4-ethyl-3-methylpyridazine
CID 155974727

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The IUPAC name of 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole (CID 154575348) is 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is COCc1nsc(N2CCC(COc3ccc(C(C)(C)C)nn3)C2)n1.
What is the InChIKey of 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
The InChIKey is BZAWPVIYRUKNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-17(2,3)13-5-6-15(20-19-13)24-10-12-7-8-22(9-12)16-18-14(11-23-4)21-25-16/h5-6,12H,7-11H2,1-4H3.
What are the key properties of 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole?
5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole has a molecular weight of 363.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(6-tert-butylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 154575348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).