2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid

C17H22N2O2S — CID 97180938

IUPAC2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCN(CC)c1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1
InChIInChI=1S/C17H22N2O2S/c1-5-19(6-2)17-18-16(14(22-17)10-15(20)21)13-8-7-11(3)9-12(13)4/h7-9H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyZPGBMZOZIZIQOH-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.90
Rot. Bonds6

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

2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid (PubChem CID 97180938) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
PubChem CID97180938
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
SMILESCCN(CC)c1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1
InChIInChI=1S/C17H22N2O2S/c1-5-19(6-2)17-18-16(14(22-17)10-15(20)21)13-8-7-11(3)9-12(13)4/h7-9H,5-6,10H2,1-4H3,(H,20,21)
InChIKeyZPGBMZOZIZIQOH-UHFFFAOYSA-N
XLogP3.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid (CID 97180938) is 2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid is CCN(CC)c1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ZPGBMZOZIZIQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-5-19(6-2)17-18-16(14(22-17)10-15(20)21)13-8-7-11(3)9-12(13)4/h7-9H,5-6,10H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid?
2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid has a molecular weight of 318.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 97180938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).