2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C14H13ClN2O3S — CID 66380785

IUPAC2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)Cc1ccccc1Cl)c1nc(C(=O)O)cs1
InChIInChI=1S/C14H13ClN2O3S/c1-8(13-17-11(7-21-13)14(19)20)16-12(18)6-9-4-2-3-5-10(9)15/h2-5,7-8H,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyDURRHPDQHNJVKV-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.91
Rot. Bonds5

About 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66380785) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66380785
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)Cc1ccccc1Cl)c1nc(C(=O)O)cs1
InChIInChI=1S/C14H13ClN2O3S/c1-8(13-17-11(7-21-13)14(19)20)16-12(18)6-9-4-2-3-5-10(9)15/h2-5,7-8H,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyDURRHPDQHNJVKV-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037
2-[1-[(3-chloro-4-methylbenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66378644
2-[1-[(2-cyclopropyl-2-phenylacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 171713637
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3766569
2-[1-[3-(ethylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379246
2-[1-[(2-ethoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379813
2-[1-[(3-chloro-4-hydroxybenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380793
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[(2-chloro-3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 81453332
2-[1-[(3-chlorophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373900
3-[[2-(2-chlorophenyl)acetyl]amino]butanoic acid
CID 43240713
2-[1-[(2-propoxyacetyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 114018222

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66380785) is 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)Cc1ccccc1Cl)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DURRHPDQHNJVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-8(13-17-11(7-21-13)14(19)20)16-12(18)6-9-4-2-3-5-10(9)15/h2-5,7-8H,6H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 324.79 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66380785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).