2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid

C12H10Cl2N2O2S — CID 21439936

IUPAC2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCn1cc(CC(=O)O)s/c1=N\c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O2S/c1-16-6-10(5-11(17)18)19-12(16)15-9-3-7(13)2-8(14)4-9/h2-4,6H,5H2,1H3,(H,17,18)/b15-12-
InChIKeyHFILEJHAFSRKPC-QINSGFPZSA-N
MW317.20 g/mol
LogP3.25
Rot. Bonds3

About 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid

2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 21439936) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID21439936
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCn1cc(CC(=O)O)s/c1=N\c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H10Cl2N2O2S/c1-16-6-10(5-11(17)18)19-12(16)15-9-3-7(13)2-8(14)4-9/h2-4,6H,5H2,1H3,(H,17,18)/b15-12-
InChIKeyHFILEJHAFSRKPC-QINSGFPZSA-N
XLogP3.25
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid (CID 21439936) is 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid is Cn1cc(CC(=O)O)s/c1=N\c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is HFILEJHAFSRKPC-QINSGFPZSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-16-6-10(5-11(17)18)19-12(16)15-9-3-7(13)2-8(14)4-9/h2-4,6H,5H2,1H3,(H,17,18)/b15-12-.
What are the key properties of 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid?
2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 317.20 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichlorophenyl)imino-3-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 21439936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).