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

C14H16N2O2S — CID 80576799

IUPAC2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cccc(CCNc2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C14H16N2O2S/c1-10-3-2-4-11(7-10)5-6-15-14-16-12(9-19-14)8-13(17)18/h2-4,7,9H,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIDNGMAWTQBOUFP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.73
Rot. Bonds6

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

2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 80576799) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID80576799
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cccc(CCNc2nc(CC(=O)O)cs2)c1
InChIInChI=1S/C14H16N2O2S/c1-10-3-2-4-11(7-10)5-6-15-14-16-12(9-19-14)8-13(17)18/h2-4,7,9H,5-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyIDNGMAWTQBOUFP-UHFFFAOYSA-N
XLogP2.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106044576
methyl 2-[2-[2-(3-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 107856367
2-[2-[2-(2-fluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575585
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-[2-(3-methoxyphenoxy)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 9155763
2-[(3-methylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 80569053
methyl 2-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80574916
2-[2-[[2-(3,4-dimethylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 60708471
2-[2-[3-(N-methylanilino)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 80573782
2-[2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106411492
methyl 2-[2-[2-(4-methoxyphenyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78915824
3-[2-[(4-bromo-1,3-thiazol-2-yl)amino]ethyl]benzoic acid
CID 79399210

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid (CID 80576799) is 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid is Cc1cccc(CCNc2nc(CC(=O)O)cs2)c1.
What is the InChIKey of 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is IDNGMAWTQBOUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-3-2-4-11(7-10)5-6-15-14-16-12(9-19-14)8-13(17)18/h2-4,7,9H,5-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 80576799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).