2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole

C13H13BrN2OS — CID 116965317

IUPAC2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C3CNC3)n2)cc1Br
InChIInChI=1S/C13H13BrN2OS/c1-17-12-3-2-8(4-10(12)14)11-7-18-13(16-11)9-5-15-6-9/h2-4,7,9,15H,5-6H2,1H3
InChIKeyLQPKCGFBLQJUHC-UHFFFAOYSA-N
MW325.23 g/mol
LogP3.27
Rot. Bonds3

About 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole

2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole (PubChem CID 116965317) has the molecular formula C13H13BrN2OS and a molecular weight of 325.23 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole
PubChem CID116965317
Molecular FormulaC13H13BrN2OS
Molecular Weight325.23 g/mol
Exact Mass323.99
IUPAC Name2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2csc(C3CNC3)n2)cc1Br
InChIInChI=1S/C13H13BrN2OS/c1-17-12-3-2-8(4-10(12)14)11-7-18-13(16-11)9-5-15-6-9/h2-4,7,9,15H,5-6H2,1H3
InChIKeyLQPKCGFBLQJUHC-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965884
1-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966426
3-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propan-1-ol
CID 116965577
4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962099
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 1391807
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
2-(3-bromo-4-methoxyphenyl)-4-pyrrolidin-2-yl-1,3-thiazole
CID 106951192
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888189

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole (CID 116965317) is 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole is COc1ccc(-c2csc(C3CNC3)n2)cc1Br.
What is the InChIKey of 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole?
The InChIKey is LQPKCGFBLQJUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS/c1-17-12-3-2-8(4-10(12)14)11-7-18-13(16-11)9-5-15-6-9/h2-4,7,9,15H,5-6H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole?
2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole has a molecular weight of 325.23 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 116965317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).