2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid

C15H17ClN2O2S — CID 21440015

IUPAC2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid
SMILESCCCn1c(C(C)C(=O)O)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-3-8-18-13(10(2)14(19)20)9-21-15(18)17-12-6-4-11(16)5-7-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,20)/b17-15-
InChIKeyAHZBHLYDLSQHOX-ICFOKQHNSA-N
MW324.83 g/mol
LogP4.03
Rot. Bonds5

About 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid

2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid (PubChem CID 21440015) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid
PubChem CID21440015
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid
SMILESCCCn1c(C(C)C(=O)O)cs/c1=N\c1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-3-8-18-13(10(2)14(19)20)9-21-15(18)17-12-6-4-11(16)5-7-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,20)/b17-15-
InChIKeyAHZBHLYDLSQHOX-ICFOKQHNSA-N
XLogP4.03
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid (CID 21440015) is 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid is CCCn1c(C(C)C(=O)O)cs/c1=N\c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is AHZBHLYDLSQHOX-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-3-8-18-13(10(2)14(19)20)9-21-15(18)17-12-6-4-11(16)5-7-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,20)/b17-15-.
What are the key properties of 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid?
2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 324.83 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)imino-3-propyl-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 21440015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).