2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole

C14H16N2S — CID 116965302

IUPAC2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole
SMILESCc1ccc(C)c(-c2csc(C3CNC3)n2)c1
InChIInChI=1S/C14H16N2S/c1-9-3-4-10(2)12(5-9)13-8-17-14(16-13)11-6-15-7-11/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyCKJUJSHIBYFPGB-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.11
Rot. Bonds2

About 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole

2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole (PubChem CID 116965302) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole
PubChem CID116965302
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole
SMILESCc1ccc(C)c(-c2csc(C3CNC3)n2)c1
InChIInChI=1S/C14H16N2S/c1-9-3-4-10(2)12(5-9)13-8-17-14(16-13)11-6-15-7-11/h3-5,8,11,15H,6-7H2,1-2H3
InChIKeyCKJUJSHIBYFPGB-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)-1,3-thiazole
CID 116965323
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975
4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084434
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61339037
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
4-(2,5-dimethylphenyl)-2-piperidin-1-yl-1,3-thiazole
CID 23741861
O-[2-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]ethyl]hydroxylamine
CID 39351081
2-(azetidin-3-yl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazole
CID 116965326
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole (CID 116965302) is 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole is Cc1ccc(C)c(-c2csc(C3CNC3)n2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole?
The InChIKey is CKJUJSHIBYFPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-9-3-4-10(2)12(5-9)13-8-17-14(16-13)11-6-15-7-11/h3-5,8,11,15H,6-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole?
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116965302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).