2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid

C14H15NO4S2 — CID 141124885

IUPAC2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid
SMILESCC(C)c1ccc(-c2csc(S(=O)(=O)CC(=O)O)n2)cc1
InChIInChI=1S/C14H15NO4S2/c1-9(2)10-3-5-11(6-4-10)12-7-20-14(15-12)21(18,19)8-13(16)17/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyYHTWDKWSXQKEIE-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds5

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

2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid (PubChem CID 141124885) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid.

Molecular Properties

Compound Name2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid
PubChem CID141124885
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid
SMILESCC(C)c1ccc(-c2csc(S(=O)(=O)CC(=O)O)n2)cc1
InChIInChI=1S/C14H15NO4S2/c1-9(2)10-3-5-11(6-4-10)12-7-20-14(15-12)21(18,19)8-13(16)17/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyYHTWDKWSXQKEIE-UHFFFAOYSA-N
XLogP2.79
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[propan-2-yl-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]amino]propanoic acid;hydrochloride
CID 68647617
2-(4-fluorophenyl)sulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7544713
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110393720
2-amino-1-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116966807
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4060927
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
N-(2-methylpropyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 60642186
1-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-2,5-dione
CID 55921814
2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl-(thiophen-2-ylmethyl)amino]acetic acid;hydrochloride
CID 68647651

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid?
The IUPAC name of 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid (CID 141124885) is 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid.
What is the SMILES notation for 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid?
The canonical SMILES for 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid is CC(C)c1ccc(-c2csc(S(=O)(=O)CC(=O)O)n2)cc1.
What is the InChIKey of 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid?
The InChIKey is YHTWDKWSXQKEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9(2)10-3-5-11(6-4-10)12-7-20-14(15-12)21(18,19)8-13(16)17/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid?
2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]sulfonyl]acetic acid is sourced from PubChem (CID 141124885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).