methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate

C17H21NO3S — CID 53263554

IUPACmethyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(COc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C17H21NO3S/c1-17(2,3)13-7-5-6-8-14(13)21-10-15-18-12(11-22-15)9-16(19)20-4/h5-8,11H,9-10H2,1-4H3
InChIKeySFVANERWBMOJTC-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.74
Rot. Bonds5

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

methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate (PubChem CID 53263554) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
PubChem CID53263554
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Namemethyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(COc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C17H21NO3S/c1-17(2,3)13-7-5-6-8-14(13)21-10-15-18-12(11-22-15)9-16(19)20-4/h5-8,11H,9-10H2,1-4H3
InChIKeySFVANERWBMOJTC-UHFFFAOYSA-N
XLogP3.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38985945
methyl 2-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 79016822
methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
4-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-2-amine
CID 43137858
2-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 117187055
methyl 2-[2-[[2-(trifluoromethyl)benzoyl]amino]-1,3-thiazol-4-yl]acetate
CID 86978228
2-[2-[2-(2-tert-butyl-4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]acetate
CID 7745506
1-butan-2-yl-3-tert-butyl-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 46009736
(5-fluoro-2-methoxyphenyl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55477220
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 26989106
2-[2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]acetic acid
CID 80741744
[4-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 159339368

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate (CID 53263554) is methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(COc2ccccc2C(C)(C)C)n1.
What is the InChIKey of methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is SFVANERWBMOJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-17(2,3)13-7-5-6-8-14(13)21-10-15-18-12(11-22-15)9-16(19)20-4/h5-8,11H,9-10H2,1-4H3.
What are the key properties of methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate?
methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 319.43 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-tert-butylphenoxy)methyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 53263554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).