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

C11H13N3O2S — CID 83090537

IUPACmethyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2cn(C)nc2C)n1
InChIInChI=1S/C11H13N3O2S/c1-7-9(5-14(2)13-7)11-12-8(6-17-11)4-10(15)16-3/h5-6H,4H2,1-3H3
InChIKeyOAXCSPBXKLWLAJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.57
Rot. Bonds3

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

methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate (PubChem CID 83090537) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
PubChem CID83090537
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Namemethyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(-c2cn(C)nc2C)n1
InChIInChI=1S/C11H13N3O2S/c1-7-9(5-14(2)13-7)11-12-8(6-17-11)4-10(15)16-3/h5-6H,4H2,1-3H3
InChIKeyOAXCSPBXKLWLAJ-UHFFFAOYSA-N
XLogP1.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-methyl-2-[2-(1-methylpyrazol-4-YL)-1,3-thiazol-4-YL]propanoate
CID 99604431
ethyl 2-(2-(5-bromo-1-tert-butyl-1H-pyrazol-4-yl)thiazol-4-yl)acetate
CID 86721242
2-(2-(5-bromo-1-tert-butyl-1H-pyrazol-4-yl)thiazol-4-yl)acetic acid
CID 86721243
Methyl 1-methyl-4-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxylate
CID 90383252
Methyl 4-(4-ethyl-1,3-thiazol-2-yl)-1-methylpyrazole-5-carboxylate
CID 90383433
2-(1,3-Dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole
CID 117947414
2-(1,3-Dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole
CID 117947512
Ethyl 2-[2-(1-methylpyrazol-3-yl)-1,3-thiazol-4-yl]prop-2-enoate
CID 141436354
2-[2-(1,3,5-Trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 43140184
2-[2-(1-Methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid
CID 43140197
Ethyl 2-[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]acetate
CID 61792774
Ethyl 2-[4-(1-ethylpyrazol-4-yl)-1,3-thiazol-2-yl]acetate
CID 61792961

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate (CID 83090537) is methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(-c2cn(C)nc2C)n1.
What is the InChIKey of methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate?
The InChIKey is OAXCSPBXKLWLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-7-9(5-14(2)13-7)11-12-8(6-17-11)4-10(15)16-3/h5-6H,4H2,1-3H3.
What are the key properties of methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate has a molecular weight of 251.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 83090537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).