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

C13H14N2O2S — CID 94274570

IUPAC2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCNc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c16-13(17)8-11-9-18-12(15-11)6-7-14-10-4-2-1-3-5-10/h1-5,9,14H,6-8H2,(H,16,17)
InChIKeyDYMWQZRRMIDCLL-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.42
Rot. Bonds6

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

2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 94274570) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID94274570
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(CCNc2ccccc2)n1
InChIInChI=1S/C13H14N2O2S/c16-13(17)8-11-9-18-12(15-11)6-7-14-10-4-2-1-3-5-10/h1-5,9,14H,6-8H2,(H,16,17)
InChIKeyDYMWQZRRMIDCLL-UHFFFAOYSA-N
XLogP2.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(ethylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94256908
2-[2-[2-(propan-2-ylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 94260388
2-[2-[2-(1,3-dihydroisoindole-2-carbonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 166279122
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
2-[2-[2-(2-fluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575585
2-[2-(3,3-dimethylbutyl)-1,3-thiazol-4-yl]acetic acid
CID 59238394
2-[2-(2-thiophen-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82088222
2-[2-[2-[(4-methyl-3-pyridinyl)sulfonylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146092987
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-[2-[2-[3-(dimethylamino)propylamino]ethyl]-1,3-thiazol-4-yl]acetic acid
CID 82123896
2-[2-[2-(4-phenylphenoxy)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 4980882
2-[2-[(3-cyanoanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82124046

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid (CID 94274570) is 2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(CCNc2ccccc2)n1.
What is the InChIKey of 2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DYMWQZRRMIDCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-13(17)8-11-9-18-12(15-11)6-7-14-10-4-2-1-3-5-10/h1-5,9,14H,6-8H2,(H,16,17).
What are the key properties of 2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 262.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-anilinoethyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 94274570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).