2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid

C17H21NO2S — CID 82069366

IUPAC2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(-c2ccc(C(C)(C)C)cc2)c(CC(=O)O)s1
InChIInChI=1S/C17H21NO2S/c1-5-14-18-16(13(21-14)10-15(19)20)11-6-8-12(9-7-11)17(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,20)
InChIKeyVOKXEPFZQUJQKT-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.30
Rot. Bonds4

About 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid

2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82069366) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82069366
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(-c2ccc(C(C)(C)C)cc2)c(CC(=O)O)s1
InChIInChI=1S/C17H21NO2S/c1-5-14-18-16(13(21-14)10-15(19)20)11-6-8-12(9-7-11)17(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,20)
InChIKeyVOKXEPFZQUJQKT-UHFFFAOYSA-N
XLogP4.30
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine
CID 39373614
2-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069372
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]acetic acid
CID 154363492
2-[2-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82069351
2-[4-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylmethyl]-1,3-thiazol-5-yl]acetic acid
CID 46230041
[2-bromo-4-(4-tert-butylphenyl)-1,3-thiazol-5-yl]methanol
CID 131867651
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetic acid
CID 82069378
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[4-(4-methylphenyl)-2-(N-phenylanilino)-1,3-thiazol-5-yl]acetic acid
CID 71188401

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid (CID 82069366) is 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid is CCc1nc(-c2ccc(C(C)(C)C)cc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is VOKXEPFZQUJQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-5-14-18-16(13(21-14)10-15(19)20)11-6-8-12(9-7-11)17(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 303.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)-2-ethyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82069366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).