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

C16H19NO3S — CID 82428952

IUPAC2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(COc2ccc(C)cc2C)sc1CC(=O)O
InChIInChI=1S/C16H19NO3S/c1-4-12-14(8-16(18)19)21-15(17-12)9-20-13-6-5-10(2)7-11(13)3/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeySFUVMPNMDPNJEK-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.53
Rot. Bonds6

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

2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 82428952) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid
PubChem CID82428952
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid
SMILESCCc1nc(COc2ccc(C)cc2C)sc1CC(=O)O
InChIInChI=1S/C16H19NO3S/c1-4-12-14(8-16(18)19)21-15(17-12)9-20-13-6-5-10(2)7-11(13)3/h5-7H,4,8-9H2,1-3H3,(H,18,19)
InChIKeySFUVMPNMDPNJEK-UHFFFAOYSA-N
XLogP3.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82428956
[4-tert-butyl-2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]methanol
CID 82438725
3-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82422936
1-[4-ethyl-2-[(2-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428810
N-[[2-[(2,4-dimethylphenoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82193598
2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422937
2-[4-(2,4-dimethylphenyl)-2-propyl-1,3-thiazol-5-yl]acetic acid
CID 82069390
[2-[2-(2,4-dimethylphenoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441066
2-[2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82093695
[2-[(2,5-dimethylphenoxy)methyl]-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82431911
1-[4-ethyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]ethanone
CID 82428850
2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82429290

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid (CID 82428952) is 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid is CCc1nc(COc2ccc(C)cc2C)sc1CC(=O)O.
What is the InChIKey of 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is SFUVMPNMDPNJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-4-12-14(8-16(18)19)21-15(17-12)9-20-13-6-5-10(2)7-11(13)3/h5-7H,4,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 305.40 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82428952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).