2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid

C14H15FN2O2S — CID 104527253

IUPAC2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(c1ccc(F)cc1)c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C14H15FN2O2S/c1-14(2,8-3-5-9(15)6-4-8)13-17-10(7-20-13)11(16)12(18)19/h3-7,11H,16H2,1-2H3,(H,18,19)
InChIKeyWNZSLWNMWWOTEJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527253) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid
PubChem CID104527253
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)(c1ccc(F)cc1)c1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C14H15FN2O2S/c1-14(2,8-3-5-9(15)6-4-8)13-17-10(7-20-13)11(16)12(18)19/h3-7,11H,16H2,1-2H3,(H,18,19)
InChIKeyWNZSLWNMWWOTEJ-UHFFFAOYSA-N
XLogP2.69
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanone
CID 64770332
2-amino-2-[2-(2-cyanopropan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 103097346
2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527370
2-amino-2-[2-(3,3-dimethylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104830469
2-amino-2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527011
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
1-[2-(1,1-difluoroethyl)-1,3-thiazol-4-yl]ethanamine
CID 84772376
2-[2-(4-aminophenyl)propan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 82548154
2-amino-2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527015
2-amino-2-[2-[2-(3,5-difluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527812
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid (CID 104527253) is 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid is CC(C)(c1ccc(F)cc1)c1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WNZSLWNMWWOTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-14(2,8-3-5-9(15)6-4-8)13-17-10(7-20-13)11(16)12(18)19/h3-7,11H,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[2-(4-fluorophenyl)propan-2-yl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).