5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole

C14H16N2OS — CID 150765485

IUPAC5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole
SMILESCc1cnc(-c2cccc(OC3CN(C)C3)c2)s1
InChIInChI=1S/C14H16N2OS/c1-10-7-15-14(18-10)11-4-3-5-12(6-11)17-13-8-16(2)9-13/h3-7,13H,8-9H2,1-2H3
InChIKeyJYSSXFBPCRMJDN-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.81
Rot. Bonds3

About 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole

5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole (PubChem CID 150765485) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole
PubChem CID150765485
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole
SMILESCc1cnc(-c2cccc(OC3CN(C)C3)c2)s1
InChIInChI=1S/C14H16N2OS/c1-10-7-15-14(18-10)11-4-3-5-12(6-11)17-13-8-16(2)9-13/h3-7,13H,8-9H2,1-2H3
InChIKeyJYSSXFBPCRMJDN-UHFFFAOYSA-N
XLogP2.81
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
3-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 54594926
3-(1-acetylpiperidin-4-yl)oxy-5-(5-methyl-1,3-thiazol-2-yl)benzoic acid
CID 121397723
[(5-methyl-1,3-thiazol-2-yl)amino]-[2-(3-piperidin-4-yloxyphenyl)quinolin-8-yl]methanol
CID 163571886
1-[3-(1-methylazetidin-3-yl)oxyphenyl]cyclopentan-1-amine
CID 117368744
3-(5-methyl-1,3-thiazol-2-yl)-5-[(3S)-oxolan-3-yl]oxybenzonitrile
CID 163203444
3-[5-(1-methylazetidin-3-yl)oxypyridazin-3-yl]benzaldehyde
CID 121283986
ethane;5-methyl-2-(4-methylphenyl)-1,3-thiazole
CID 123316346
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280554
1-[2-(3-cyclohexyloxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101390
2-methyl-5-(5-methyl-1,3-thiazol-2-yl)benzenethiol
CID 174331858
2-(5-methyl-1,3-thiazol-2-yl)-5-(oxetan-3-yloxy)benzamide
CID 140866666

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole (CID 150765485) is 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole is Cc1cnc(-c2cccc(OC3CN(C)C3)c2)s1.
What is the InChIKey of 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole?
The InChIKey is JYSSXFBPCRMJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-7-15-14(18-10)11-4-3-5-12(6-11)17-13-8-16(2)9-13/h3-7,13H,8-9H2,1-2H3.
What are the key properties of 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole?
5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole has a molecular weight of 260.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-(1-methylazetidin-3-yl)oxyphenyl]-1,3-thiazole is sourced from PubChem (CID 150765485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).