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

C16H19NO2S — CID 82069390

IUPAC2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1
InChIInChI=1S/C16H19NO2S/c1-4-5-14-17-16(13(20-14)9-15(18)19)12-7-6-10(2)8-11(12)3/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyMZWDVOYLCDYEDG-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.01
Rot. Bonds5

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

2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82069390) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82069390
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
SMILESCCCc1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1
InChIInChI=1S/C16H19NO2S/c1-4-5-14-17-16(13(20-14)9-15(18)19)12-7-6-10(2)8-11(12)3/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyMZWDVOYLCDYEDG-UHFFFAOYSA-N
XLogP4.01
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 3159723
2-[2-(diethylamino)-4-(2,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97180938
2-[4-(4-methoxy-3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069391
2-[4-(2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 97180942
2-[4-(2,5-dimethylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 2236513
2-(2,4-dipropyl-1,3-thiazol-5-yl)acetic acid
CID 82431548
2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
CID 82477709
2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82093695
2-[4-(2-methoxy-5-methylphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39376254
2-[2-[4-(2,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]ethanol
CID 82102696
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 94700101
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82428952

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid (CID 82069390) is 2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid is CCCc1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is MZWDVOYLCDYEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-5-14-17-16(13(20-14)9-15(18)19)12-7-6-10(2)8-11(12)3/h6-8H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid?
2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 289.40 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82069390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).