2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid

C17H20N2O4S — CID 97035884

IUPAC2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2nc(NC(=O)C(C)C)sc2CC(=O)O)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-23-12-7-5-11(6-8-12)15-13(9-14(20)21)24-17(18-15)19-16(22)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyIUWWKASRFSITSY-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.43
Rot. Bonds7

About 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid

2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid (PubChem CID 97035884) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid
PubChem CID97035884
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid
SMILESCCOc1ccc(-c2nc(NC(=O)C(C)C)sc2CC(=O)O)cc1
InChIInChI=1S/C17H20N2O4S/c1-4-23-12-7-5-11(6-8-12)15-13(9-14(20)21)24-17(18-15)19-16(22)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKeyIUWWKASRFSITSY-UHFFFAOYSA-N
XLogP3.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-methylpropanoylamino)-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200051
2-[2-acetamido-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199975
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
2-[2-acetamido-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid
CID 39199983
2-[2-[(4-methylbenzoyl)amino]-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 39200245
2-[4-(4-methoxyphenyl)-2-(4-methylanilino)-1,3-thiazol-5-yl]acetic acid
CID 3145343
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19228287
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362497
4-(4-ethoxyphenyl)-N-[4-(4-ethoxyphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126199401
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 89406463
2-[2-anilino-4-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 23913706

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid (CID 97035884) is 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid is CCOc1ccc(-c2nc(NC(=O)C(C)C)sc2CC(=O)O)cc1.
What is the InChIKey of 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is IUWWKASRFSITSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-4-23-12-7-5-11(6-8-12)15-13(9-14(20)21)24-17(18-15)19-16(22)10(2)3/h5-8,10H,4,9H2,1-3H3,(H,20,21)(H,18,19,22).
What are the key properties of 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid?
2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 348.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxyphenyl)-2-(2-methylpropanoylamino)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 97035884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).