2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid

C14H13ClN2O4S — CID 45388233

IUPAC2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C14H13ClN2O4S/c1-8(21-11-4-2-9(15)3-5-11)13(20)17-14-16-10(7-22-14)6-12(18)19/h2-5,7-8H,6H2,1H3,(H,18,19)(H,16,17,20)
InChIKeySMQGZTVOCSESJZ-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.83
Rot. Bonds6

About 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 45388233) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID45388233
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(Oc1ccc(Cl)cc1)C(=O)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C14H13ClN2O4S/c1-8(21-11-4-2-9(15)3-5-11)13(20)17-14-16-10(7-22-14)6-12(18)19/h2-5,7-8H,6H2,1H3,(H,18,19)(H,16,17,20)
InChIKeySMQGZTVOCSESJZ-UHFFFAOYSA-N
XLogP2.83
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)propanamide
CID 51258071
ethyl 2-[2-(2-phenoxypropanoylamino)-1,3-thiazol-4-yl]acetate
CID 3145095
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992
(2S)-2-(4-chlorophenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7924820
(2R)-2-(4-chlorophenoxy)-N-[4-[(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 32960323
ethyl 2-[2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 1080646
ethyl 2-[2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-1,3-thiazol-4-yl]acetate
CID 18287510
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3-methylphenoxy)propanamide
CID 18139540
N-(4-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4162363
2-[2-[(2-methoxy-2-phenylacetyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62032289
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid (CID 45388233) is 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid is CC(Oc1ccc(Cl)cc1)C(=O)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is SMQGZTVOCSESJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-8(21-11-4-2-9(15)3-5-11)13(20)17-14-16-10(7-22-14)6-12(18)19/h2-5,7-8H,6H2,1H3,(H,18,19)(H,16,17,20).
What are the key properties of 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 340.79 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenoxy)propanoylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 45388233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).