(2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate

C14H15NO2S — CID 174954354

IUPAC(2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1ncc(C(=O)Oc2ccc(C)cc2C)s1
InChIInChI=1S/C14H15NO2S/c1-4-13-15-8-12(18-13)14(16)17-11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3
InChIKeySJRYTDNFNSXACQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.54
Rot. Bonds3

About (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate

(2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 174954354) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate
PubChem CID174954354
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name(2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate
SMILESCCc1ncc(C(=O)Oc2ccc(C)cc2C)s1
InChIInChI=1S/C14H15NO2S/c1-4-13-15-8-12(18-13)14(16)17-11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3
InChIKeySJRYTDNFNSXACQ-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.54
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

2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422937
(2,4-dimethylphenyl) thiophene-2-carboxylate
CID 13404169
(2,4-dimethylphenyl) pyridine-4-carboxylate
CID 836824
(2-oxo-3,4-dihydro-1H-quinolin-7-yl) 2-ethyl-1,3-thiazole-5-carboxylate
CID 99823244
N-[(3,4-dimethoxyphenyl)methyl]-N,2-diethyl-1,3-thiazole-5-carboxamide
CID 48573492
(2,4-dimethylphenyl) 4-(pyrazol-1-ylmethyl)benzoate
CID 30002423
3-[2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82422936
(2,4-dimethylphenyl) 2-methylbutanoate
CID 20826576
2-[2-[(2,4-dimethylphenoxy)methyl]-4-ethyl-1,3-thiazol-5-yl]acetic acid
CID 82428952
(2,4-dimethylphenyl) 3-bromo-4-butoxybenzoate
CID 23012184
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-ethyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 89433950

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate (CID 174954354) is (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate is CCc1ncc(C(=O)Oc2ccc(C)cc2C)s1.
What is the InChIKey of (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is SJRYTDNFNSXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-4-13-15-8-12(18-13)14(16)17-11-6-5-9(2)7-10(11)3/h5-8H,4H2,1-3H3.
What are the key properties of (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate?
(2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl) 2-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 174954354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).