2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid

C16H14F3N3O5S — CID 29139622

IUPAC2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C16H14F3N3O5S/c1-8-13(14(26)21-6-11(23)20-7-12(24)25)28-15(22-8)9-2-4-10(5-3-9)27-16(17,18)19/h2-5H,6-7H2,1H3,(H,20,23)(H,21,26)(H,24,25)
InChIKeyBBGQWNFQLATZBN-UHFFFAOYSA-N
MW417.37 g/mol
LogP1.95
Rot. Bonds7

About 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid

2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid (PubChem CID 29139622) has the molecular formula C16H14F3N3O5S and a molecular weight of 417.37 g/mol. Its IUPAC name is 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid
PubChem CID29139622
Molecular FormulaC16H14F3N3O5S
Molecular Weight417.37 g/mol
Exact Mass417.06
IUPAC Name2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C16H14F3N3O5S/c1-8-13(14(26)21-6-11(23)20-7-12(24)25)28-15(22-8)9-2-4-10(5-3-9)27-16(17,18)19/h2-5H,6-7H2,1H3,(H,20,23)(H,21,26)(H,24,25)
InChIKeyBBGQWNFQLATZBN-UHFFFAOYSA-N
XLogP1.95
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]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-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 45370467
(2R)-2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 29140347
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 27747033
N-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 59338646
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 42650220
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(4-ethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16562673
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119625993
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78858497
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46542533
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid (CID 29139622) is 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid is Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid?
The InChIKey is BBGQWNFQLATZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O5S/c1-8-13(14(26)21-6-11(23)20-7-12(24)25)28-15(22-8)9-2-4-10(5-3-9)27-16(17,18)19/h2-5H,6-7H2,1H3,(H,20,23)(H,21,26)(H,24,25).
What are the key properties of 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid?
2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid has a molecular weight of 417.37 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 29139622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).