6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one

C18H23N5OS — CID 126927824

IUPAC6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(Cc3cn4ccsc4n3)C2)n1
InChIInChI=1S/C18H23N5OS/c1-18(2,3)15-4-5-16(24)23(20-15)10-13-8-21(9-13)11-14-12-22-6-7-25-17(22)19-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyKACFAPHYAUGHOQ-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.38
Rot. Bonds4

About 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126927824) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126927824
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CN(Cc3cn4ccsc4n3)C2)n1
InChIInChI=1S/C18H23N5OS/c1-18(2,3)15-4-5-16(24)23(20-15)10-13-8-21(9-13)11-14-12-22-6-7-25-17(22)19-14/h4-7,12-13H,8-11H2,1-3H3
InChIKeyKACFAPHYAUGHOQ-UHFFFAOYSA-N
XLogP2.38
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-tert-butyl-2-[[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927852
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-amine
CID 115332589
6-tert-butyl-2-[[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927876
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927754
6-tert-butyl-2-[[1-[(1-hydroxycyclobutyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928028
6-tert-butyl-2-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927853
6-tert-butyl-2-[[1-(2-morpholin-4-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927752
6-tert-butyl-2-[[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927933
2-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]methyl]-6-tert-butylpyridazin-3-one
CID 126928025
5-bromo-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyridin-2-one
CID 78942968
[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-3-yl]methanamine
CID 113288904

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126927824) is 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CN(Cc3cn4ccsc4n3)C2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is KACFAPHYAUGHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-18(2,3)15-4-5-16(24)23(20-15)10-13-8-21(9-13)11-14-12-22-6-7-25-17(22)19-14/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 357.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126927824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).