ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate

C13H17N3O2S — CID 112670102

IUPACethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cn(C)nc2CC)n1
InChIInChI=1S/C13H17N3O2S/c1-4-11-10(7-16(3)15-11)13-14-9(8-19-13)6-12(17)18-5-2/h7-8H,4-6H2,1-3H3
InChIKeyJPCIGLJVLIHPSN-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 112670102) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
PubChem CID112670102
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Nameethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2cn(C)nc2CC)n1
InChIInChI=1S/C13H17N3O2S/c1-4-11-10(7-16(3)15-11)13-14-9(8-19-13)6-12(17)18-5-2/h7-8H,4-6H2,1-3H3
InChIKeyJPCIGLJVLIHPSN-UHFFFAOYSA-N
XLogP2.21
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
CID 83090537
ethyl 2-[2-(4-methylthiophen-3-yl)-1,3-thiazol-4-yl]acetate
CID 80574122
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514
ethyl 2-[2-(2,3-dimethylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573399
ethyl 2-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-4-yl]acetate
CID 80573381
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
ethyl 2-[2-(5-bromo-1-tert-butylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
CID 86721242
ethyl 2-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 80573515
ethyl 2-[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 81273605
ethyl 2-[2-(2-aminopropan-2-yl)-1,3-thiazol-4-yl]acetate
CID 107380027
ethyl 2-[2-[(1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 19474564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate (CID 112670102) is ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2cn(C)nc2CC)n1.
What is the InChIKey of ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is JPCIGLJVLIHPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-4-11-10(7-16(3)15-11)13-14-9(8-19-13)6-12(17)18-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 279.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 112670102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).