2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid

C14H16N2O2S — CID 114358827

IUPAC2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(-c2ccc(N)cc2)sc1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)11-10(13(17)18)19-12(16-11)8-4-6-9(15)7-5-8/h4-7H,15H2,1-3H3,(H,17,18)
InChIKeyFMTYGYZITSAMPA-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.39
Rot. Bonds2

About 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid

2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114358827) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
PubChem CID114358827
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)(C)c1nc(-c2ccc(N)cc2)sc1C(=O)O
InChIInChI=1S/C14H16N2O2S/c1-14(2,3)11-10(13(17)18)19-12(16-11)8-4-6-9(15)7-5-8/h4-7H,15H2,1-3H3,(H,17,18)
InChIKeyFMTYGYZITSAMPA-UHFFFAOYSA-N
XLogP3.39
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

methyl 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 114358824
2-[(4-aminophenyl)methyl]-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358894
4-tert-butyl-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360581
2-(2-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358835
2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114358831
2-(4-ethylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82308450
2-(2-bromophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114359471
CID 163255982
CID 163255982
1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
CID 82438655
4-tert-butyl-2-(3-cyclopropylphenyl)-1,3-thiazole-5-carboxylic acid
CID 114360605
4-tert-butyl-2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114360545
4-tert-butyl-2-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 114359500

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid (CID 114358827) is 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid is CC(C)(C)c1nc(-c2ccc(N)cc2)sc1C(=O)O.
What is the InChIKey of 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FMTYGYZITSAMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(2,3)11-10(13(17)18)19-12(16-11)8-4-6-9(15)7-5-8/h4-7H,15H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid?
2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 276.36 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).