2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole

C13H13ClFNS — CID 113415638

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFNS/c1-8(2)11-7-17-12(16-11)6-9-4-3-5-10(14)13(9)15/h3-5,7-8H,6H2,1-2H3
InChIKeyGSRQLCSSNTWITB-UHFFFAOYSA-N
MW269.77 g/mol
LogP4.65
Rot. Bonds3

About 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole

2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole (PubChem CID 113415638) has the molecular formula C13H13ClFNS and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole
PubChem CID113415638
Molecular FormulaC13H13ClFNS
Molecular Weight269.77 g/mol
Exact Mass269.04
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc(Cc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H13ClFNS/c1-8(2)11-7-17-12(16-11)6-9-4-3-5-10(14)13(9)15/h3-5,7-8H,6H2,1-2H3
InChIKeyGSRQLCSSNTWITB-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-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

[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-4-yl]methanol
CID 82808096
2-[(3-chloro-2-fluorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360366
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
3-[(3-chloro-2-fluorophenyl)methyl]-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 82807470
2-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 82790667
1-(3-chloro-2-fluorophenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 82806378
2-[2-[(3-chloro-2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82802807
5-[(3-chloro-2-fluorophenyl)methyl]-2-propan-2-yl-1,3-oxazole
CID 90395034
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 83967573
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82806898
1-[2-(3-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 64545128

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole (CID 113415638) is 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc(Cc2cccc(Cl)c2F)n1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is GSRQLCSSNTWITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNS/c1-8(2)11-7-17-12(16-11)6-9-4-3-5-10(14)13(9)15/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole?
2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 269.77 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 113415638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).