2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate

C23H24NO3S- — CID 7745299

IUPAC2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(OCc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C23H25NO3S/c1-15-5-10-20(19(11-15)23(2,3)4)27-13-16-6-8-17(9-7-16)22-24-18(14-28-22)12-21(25)26/h5-11,14H,12-13H2,1-4H3,(H,25,26)/p-1
InChIKeySNZHRLLFAYPJJQ-UHFFFAOYSA-M
MW394.52 g/mol
LogP4.29
Rot. Bonds6

About 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate

2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate (PubChem CID 7745299) has the molecular formula C23H24NO3S- and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
PubChem CID7745299
Molecular FormulaC23H24NO3S-
Molecular Weight394.52 g/mol
Exact Mass394.15
IUPAC Name2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
SMILESCc1ccc(OCc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C23H25NO3S/c1-15-5-10-20(19(11-15)23(2,3)4)27-13-16-6-8-17(9-7-16)22-24-18(14-28-22)12-21(25)26/h5-11,14H,12-13H2,1-4H3,(H,25,26)/p-1
InChIKeySNZHRLLFAYPJJQ-UHFFFAOYSA-M
XLogP4.29
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

2-[2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745506
2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
2-[2-[4-[(4-phenylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745304
2-[2-[2-(2-tert-butyl-4-ethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159576
[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]methanamine
CID 22688671
2-[2-[2-(2-tert-butyl-4-methylphenoxy)acetyl]-1,3-thiazol-4-yl]acetic acid
CID 9159594
2-[2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20990309
2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770965
2-[2-[4-[(2,3-dimethylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980523
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159606
2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
CID 94758930

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate (CID 7745299) is 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate is Cc1ccc(OCc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is SNZHRLLFAYPJJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25NO3S/c1-15-5-10-20(19(11-15)23(2,3)4)27-13-16-6-8-17(9-7-16)22-24-18(14-28-22)12-21(25)26/h5-11,14H,12-13H2,1-4H3,(H,25,26)/p-1.
What are the key properties of 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate?
2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 394.52 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7745299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).