2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate

C12H15N3O3S — CID 75421137

IUPAC2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCOCc1nc(C(=O)OCCc2cnn(C)c2)cs1
InChIInChI=1S/C12H15N3O3S/c1-15-6-9(5-13-15)3-4-18-12(16)10-8-19-11(14-10)7-17-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNJXJBTBJSZVLNZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.42
Rot. Bonds6

About 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate

2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate (PubChem CID 75421137) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate
PubChem CID75421137
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate
SMILESCOCc1nc(C(=O)OCCc2cnn(C)c2)cs1
InChIInChI=1S/C12H15N3O3S/c1-15-6-9(5-13-15)3-4-18-12(16)10-8-19-11(14-10)7-17-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyNJXJBTBJSZVLNZ-UHFFFAOYSA-N
XLogP1.42
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate (CID 75421137) is 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate is COCc1nc(C(=O)OCCc2cnn(C)c2)cs1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is NJXJBTBJSZVLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-15-6-9(5-13-15)3-4-18-12(16)10-8-19-11(14-10)7-17-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate?
2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 281.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)ethyl 2-(methoxymethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 75421137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).