2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid

C14H13ClN2O3S — CID 16642297

IUPAC2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C(=O)Nc1ccccc1Cl)c1nc(CC(=O)O)cs1
InChIInChI=1S/C14H13ClN2O3S/c1-8(14-16-9(7-21-14)6-12(18)19)13(20)17-11-5-3-2-4-10(11)15/h2-5,7-8H,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyCPVIASFRALNIIQ-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.17
Rot. Bonds5

About 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid

2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 16642297) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
PubChem CID16642297
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C(=O)Nc1ccccc1Cl)c1nc(CC(=O)O)cs1
InChIInChI=1S/C14H13ClN2O3S/c1-8(14-16-9(7-21-14)6-12(18)19)13(20)17-11-5-3-2-4-10(11)15/h2-5,7-8H,6H2,1H3,(H,17,20)(H,18,19)
InChIKeyCPVIASFRALNIIQ-UHFFFAOYSA-N
XLogP3.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158127
2-[2-[(2S)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158224
2-[2-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158193
2-[2-[(2R)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158170
2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158227
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
2-[2-[(2S)-1-(2,6-diethylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158264
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
2-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 16642338
N-(3-chloro-4-methylphenyl)-2-[4-(chloromethyl)-1,3-thiazol-2-yl]propanamide
CID 82155229
2-[2-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetate
CID 9158154
2-[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 9158574

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid (CID 16642297) is 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid is CC(C(=O)Nc1ccccc1Cl)c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CPVIASFRALNIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-8(14-16-9(7-21-14)6-12(18)19)13(20)17-11-5-3-2-4-10(11)15/h2-5,7-8H,6H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 324.79 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-chloroanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 16642297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).