6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole

C18H22N4OS — CID 163353016

IUPAC6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CC(Cn4ccnc4C(C)C)C3)sc2c1
InChIInChI=1S/C18H22N4OS/c1-12(2)17-19-6-7-21(17)9-13-10-22(11-13)18-20-15-5-4-14(23-3)8-16(15)24-18/h4-8,12-13H,9-11H2,1-3H3
InChIKeyAJPFPAZZWNLPAK-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.76
Rot. Bonds5

About 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole

6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole (PubChem CID 163353016) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
PubChem CID163353016
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole
SMILESCOc1ccc2nc(N3CC(Cn4ccnc4C(C)C)C3)sc2c1
InChIInChI=1S/C18H22N4OS/c1-12(2)17-19-6-7-21(17)9-13-10-22(11-13)18-20-15-5-4-14(23-3)8-16(15)24-18/h4-8,12-13H,9-11H2,1-3H3
InChIKeyAJPFPAZZWNLPAK-UHFFFAOYSA-N
XLogP3.76
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole with MolForge

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Related Compounds

2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163350969
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 163354942
1-[6-(2-methylpropoxy)-1,3-benzothiazol-2-yl]pyrrolidin-3-amine
CID 82191912
1-(6-ethoxy-1,3-benzothiazol-2-yl)azetidine-3-thiol
CID 142660167
4-(chloromethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168507489
4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyridine-2-carbonitrile
CID 163351014
4-(bromomethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168504168
6-fluoro-4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]quinazoline
CID 163352972
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400
2-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941555
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole (CID 163353016) is 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole is COc1ccc2nc(N3CC(Cn4ccnc4C(C)C)C3)sc2c1.
What is the InChIKey of 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole?
The InChIKey is AJPFPAZZWNLPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-12(2)17-19-6-7-21(17)9-13-10-22(11-13)18-20-15-5-4-14(23-3)8-16(15)24-18/h4-8,12-13H,9-11H2,1-3H3.
What are the key properties of 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole?
6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole has a molecular weight of 342.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 163353016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).