6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole

C16H17N3S — CID 115335300

IUPAC6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(C2(Cc3cn4ccsc4n3)CNC2)cc1
InChIInChI=1S/C16H17N3S/c1-12-2-4-13(5-3-12)16(10-17-11-16)8-14-9-19-6-7-20-15(19)18-14/h2-7,9,17H,8,10-11H2,1H3
InChIKeyZLOFJQQZKDQIDO-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.79
Rot. Bonds3

About 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115335300) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115335300
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(C2(Cc3cn4ccsc4n3)CNC2)cc1
InChIInChI=1S/C16H17N3S/c1-12-2-4-13(5-3-12)16(10-17-11-16)8-14-9-19-6-7-20-15(19)18-14/h2-7,9,17H,8,10-11H2,1H3
InChIKeyZLOFJQQZKDQIDO-UHFFFAOYSA-N
XLogP2.79
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(2-bromophenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 115335311
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-ol
CID 115332763
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
imidazo[2,1-b][1,3]thiazol-6-ylmethylazanium
CID 7062758
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961108
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cycloheptan-1-ol
CID 115332722
6-[(2-tert-butylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289246
1-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)cyclobutyl]-N-methylmethanamine
CID 115334382
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115333037
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
3-benzyl-3-(4-methylphenyl)azetidine
CID 79452492

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 115335300) is 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole is Cc1ccc(C2(Cc3cn4ccsc4n3)CNC2)cc1.
What is the InChIKey of 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is ZLOFJQQZKDQIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12-2-4-13(5-3-12)16(10-17-11-16)8-14-9-19-6-7-20-15(19)18-14/h2-7,9,17H,8,10-11H2,1H3.
What are the key properties of 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 283.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-methylphenyl)azetidin-3-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115335300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).