2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C12H8Cl2N2O3S — CID 66379482

IUPAC2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNC(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H8Cl2N2O3S/c13-6-1-2-8(14)7(3-6)11(17)15-4-10-16-9(5-20-10)12(18)19/h1-3,5H,4H2,(H,15,17)(H,18,19)
InChIKeyCPCUQOZWSBCOBD-UHFFFAOYSA-N
MW331.18 g/mol
LogP3.08
Rot. Bonds4

About 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66379482) has the molecular formula C12H8Cl2N2O3S and a molecular weight of 331.18 g/mol. Its IUPAC name is 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66379482
Molecular FormulaC12H8Cl2N2O3S
Molecular Weight331.18 g/mol
Exact Mass329.96
IUPAC Name2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(CNC(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C12H8Cl2N2O3S/c13-6-1-2-8(14)7(3-6)11(17)15-4-10-16-9(5-20-10)12(18)19/h1-3,5H,4H2,(H,15,17)(H,18,19)
InChIKeyCPCUQOZWSBCOBD-UHFFFAOYSA-N
XLogP3.08
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380470
2-[2-[(4-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373281
2-[[(2,3,5-triiodobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379504
2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381423
2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 166178694
5-chloro-2-hydrazinyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 62247849
2-[[(2-bromo-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380269
2-[[(3-methylfuran-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379894
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
2-[[(2-propan-2-ylsulfanylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99605644
2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381219
2-[2-[(2-fluoro-5-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372733

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 66379482) is 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(CNC(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is CPCUQOZWSBCOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O3S/c13-6-1-2-8(14)7(3-6)11(17)15-4-10-16-9(5-20-10)12(18)19/h1-3,5H,4H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 331.18 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-dichlorobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66379482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).