(2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate

C18H22N2O4S — CID 31645353

IUPAC(2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCC(=O)Nc1nc(COC(=O)COc2cc(C)ccc2C(C)C)cs1
InChIInChI=1S/C18H22N2O4S/c1-11(2)15-6-5-12(3)7-16(15)23-9-17(22)24-8-14-10-25-18(20-14)19-13(4)21/h5-7,10-11H,8-9H2,1-4H3,(H,19,20,21)
InChIKeyFJDDGZDWFVLSGT-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.66
Rot. Bonds7

About (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate

(2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate (PubChem CID 31645353) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name(2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
PubChem CID31645353
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCC(=O)Nc1nc(COC(=O)COc2cc(C)ccc2C(C)C)cs1
InChIInChI=1S/C18H22N2O4S/c1-11(2)15-6-5-12(3)7-16(15)23-9-17(22)24-8-14-10-25-18(20-14)19-13(4)21/h5-7,10-11H,8-9H2,1-4H3,(H,19,20,21)
InChIKeyFJDDGZDWFVLSGT-UHFFFAOYSA-N
XLogP3.66
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(2-chloro-5-methylphenoxy)acetate
CID 7224446
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 9404250
N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 35271857
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 35001469
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839428
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924558
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 54858715
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
(3,5-dimethylphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 680450
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924668

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The IUPAC name of (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate (CID 31645353) is (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The canonical SMILES for (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate is CC(=O)Nc1nc(COC(=O)COc2cc(C)ccc2C(C)C)cs1.
What is the InChIKey of (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The InChIKey is FJDDGZDWFVLSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-11(2)15-6-5-12(3)7-16(15)23-9-17(22)24-8-14-10-25-18(20-14)19-13(4)21/h5-7,10-11H,8-9H2,1-4H3,(H,19,20,21).
What are the key properties of (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
(2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate has a molecular weight of 362.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-1,3-thiazol-4-yl)methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 31645353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).