(2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate

C16H19NO2S — CID 55687094

IUPAC(2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
SMILESCc1ccc(OC(=O)Cc2csc(C(C)C)n2)c(C)c1
InChIInChI=1S/C16H19NO2S/c1-10(2)16-17-13(9-20-16)8-15(18)19-14-6-5-11(3)7-12(14)4/h5-7,9-10H,8H2,1-4H3
InChIKeyCVKVUUWFBNQPRJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.03
Rot. Bonds4

About (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate

(2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 55687094) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID55687094
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name(2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
SMILESCc1ccc(OC(=O)Cc2csc(C(C)C)n2)c(C)c1
InChIInChI=1S/C16H19NO2S/c1-10(2)16-17-13(9-20-16)8-15(18)19-14-6-5-11(3)7-12(14)4/h5-7,9-10H,8H2,1-4H3
InChIKeyCVKVUUWFBNQPRJ-UHFFFAOYSA-N
XLogP4.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 10727325
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
N-methyl-1-[5-methyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 61487231
N-(5-methyl-2-pyridinyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 39718552
N-(2,4-dimethylphenyl)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 50984695
4-[(4-bromo-2-methylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 63530798
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
(2,4-dichlorophenyl) 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 16561708
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetohydrazide
CID 39716291
N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 55965667
(2,4-dimethylphenyl) 3-aminopropanoate
CID 82112021
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate (CID 55687094) is (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate is Cc1ccc(OC(=O)Cc2csc(C(C)C)n2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is CVKVUUWFBNQPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-10(2)16-17-13(9-20-16)8-15(18)19-14-6-5-11(3)7-12(14)4/h5-7,9-10H,8H2,1-4H3.
What are the key properties of (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate?
(2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 289.40 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 55687094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).