3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C14H11ClN2O2S — CID 94968824

IUPAC3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1cnc2sc(C(=O)O)c(Cc3ccc(Cl)cc3)n12
InChIInChI=1S/C14H11ClN2O2S/c1-8-7-16-14-17(8)11(12(20-14)13(18)19)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyRXSMOYIMCBCFOX-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.65
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 94968824) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID94968824
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1cnc2sc(C(=O)O)c(Cc3ccc(Cl)cc3)n12
InChIInChI=1S/C14H11ClN2O2S/c1-8-7-16-14-17(8)11(12(20-14)13(18)19)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,18,19)
InChIKeyRXSMOYIMCBCFOX-UHFFFAOYSA-N
XLogP3.65
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid 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

5-[(4-chlorophenyl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 14747589
5-methyl-3-[(E)-2-(4-methylphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82225691
4-[(4-chlorophenyl)methyl]-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226937
5-[(4-chlorophenyl)methyl]-1H-imidazole-2-carboxylic acid
CID 96594233
1-butyl-5-[(4-chlorophenyl)methyl]triazole-4-carboxylic acid
CID 82205241
5-[(4-chlorophenyl)methyl]-1-(2-methylprop-2-enyl)triazole-4-carboxylic acid
CID 82210590
2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 71148060
2-[1-(4-chlorophenyl)-2-methylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 94761338
2-[(4-chlorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765645
4-[(4-chlorophenyl)methyl]-2-(2-chloro-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 86667472
3-chloro-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid
CID 83894547
3-ethyl-6-(4-ethylphenyl)-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 39200633

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 94968824) is 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1cnc2sc(C(=O)O)c(Cc3ccc(Cl)cc3)n12.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is RXSMOYIMCBCFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-8-7-16-14-17(8)11(12(20-14)13(18)19)6-9-2-4-10(15)5-3-9/h2-5,7H,6H2,1H3,(H,18,19).
What are the key properties of 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 306.77 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-5-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 94968824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).