6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one

C18H27N5O2S — CID 126862575

IUPAC6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCOCc1nsc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)n1
InChIInChI=1S/C18H27N5O2S/c1-18(2,3)14-5-6-16(24)23(20-14)11-13-7-9-22(10-8-13)17-19-15(12-25-4)21-26-17/h5-6,13H,7-12H2,1-4H3
InChIKeyXWLNIHIPKOQNHT-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.46
Rot. Bonds5

About 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862575) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862575
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one
SMILESCOCc1nsc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)n1
InChIInChI=1S/C18H27N5O2S/c1-18(2,3)14-5-6-16(24)23(20-14)11-13-7-9-22(10-8-13)17-19-15(12-25-4)21-26-17/h5-6,13H,7-12H2,1-4H3
InChIKeyXWLNIHIPKOQNHT-UHFFFAOYSA-N
XLogP2.46
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one (CID 126862575) is 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one is COCc1nsc(N2CCC(Cn3nc(C(C)(C)C)ccc3=O)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is XWLNIHIPKOQNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-18(2,3)14-5-6-16(24)23(20-14)11-13-7-9-22(10-8-13)17-19-15(12-25-4)21-26-17/h5-6,13H,7-12H2,1-4H3.
What are the key properties of 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 377.51 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).