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

C15H13F3N2O4S — CID 45370467

IUPAC2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C15H13F3N2O4S/c1-7-11(12(21)19-8(2)14(22)23)25-13(20-7)9-3-5-10(6-4-9)24-15(16,17)18/h3-6,8H,1-2H3,(H,19,21)(H,22,23)
InChIKeyLMWJGUBWVQZBFY-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.22
Rot. Bonds5

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

2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid (PubChem CID 45370467) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid
PubChem CID45370467
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Name2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid
SMILESCc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NC(C)C(=O)O
InChIInChI=1S/C15H13F3N2O4S/c1-7-11(12(21)19-8(2)14(22)23)25-13(20-7)9-3-5-10(6-4-9)24-15(16,17)18/h3-6,8H,1-2H3,(H,19,21)(H,22,23)
InChIKeyLMWJGUBWVQZBFY-UHFFFAOYSA-N
XLogP3.22
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 29140347
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid
CID 29139622
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 42650220
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 27747033
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
4-methyl-2-pyrimidin-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55810916
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid (CID 45370467) is 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid is Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid?
The InChIKey is LMWJGUBWVQZBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-7-11(12(21)19-8(2)14(22)23)25-13(20-7)9-3-5-10(6-4-9)24-15(16,17)18/h3-6,8H,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid?
2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid has a molecular weight of 374.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 45370467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).