2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid

C15H17FN2O2S — CID 21440012

IUPAC2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid
SMILESCCC(C(=O)O)c1s/c(=N/c2ccc(F)cc2)n(C)c1C
InChIInChI=1S/C15H17FN2O2S/c1-4-12(14(19)20)13-9(2)18(3)15(21-13)17-11-7-5-10(16)6-8-11/h5-8,12H,4H2,1-3H3,(H,19,20)/b17-15+
InChIKeyDJECNTBXXVYVQM-BMRADRMJSA-N
MW308.38 g/mol
LogP3.34
Rot. Bonds4

About 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid

2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid (PubChem CID 21440012) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid
PubChem CID21440012
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid
SMILESCCC(C(=O)O)c1s/c(=N/c2ccc(F)cc2)n(C)c1C
InChIInChI=1S/C15H17FN2O2S/c1-4-12(14(19)20)13-9(2)18(3)15(21-13)17-11-7-5-10(16)6-8-11/h5-8,12H,4H2,1-3H3,(H,19,20)/b17-15+
InChIKeyDJECNTBXXVYVQM-BMRADRMJSA-N
XLogP3.34
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid (CID 21440012) is 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid is CCC(C(=O)O)c1s/c(=N/c2ccc(F)cc2)n(C)c1C.
What is the InChIKey of 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid?
The InChIKey is DJECNTBXXVYVQM-BMRADRMJSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-4-12(14(19)20)13-9(2)18(3)15(21-13)17-11-7-5-10(16)6-8-11/h5-8,12H,4H2,1-3H3,(H,19,20)/b17-15+.
What are the key properties of 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid?
2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid has a molecular weight of 308.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)imino-3,4-dimethyl-1,3-thiazol-5-yl]butanoic acid is sourced from PubChem (CID 21440012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).