2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole

C14H15N3OS2 — CID 75468243

IUPAC2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCOC(C)c1nc(Cn2ccc(-c3ccsc3)n2)cs1
InChIInChI=1S/C14H15N3OS2/c1-10(18-2)14-15-12(9-20-14)7-17-5-3-13(16-17)11-4-6-19-8-11/h3-6,8-10H,7H2,1-2H3
InChIKeyTYSXDXNOTIJGJL-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.82
Rot. Bonds5

About 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole

2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole (PubChem CID 75468243) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole
PubChem CID75468243
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole
SMILESCOC(C)c1nc(Cn2ccc(-c3ccsc3)n2)cs1
InChIInChI=1S/C14H15N3OS2/c1-10(18-2)14-15-12(9-20-14)7-17-5-3-13(16-17)11-4-6-19-8-11/h3-6,8-10H,7H2,1-2H3
InChIKeyTYSXDXNOTIJGJL-UHFFFAOYSA-N
XLogP3.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole (CID 75468243) is 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole is COC(C)c1nc(Cn2ccc(-c3ccsc3)n2)cs1.
What is the InChIKey of 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is TYSXDXNOTIJGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-10(18-2)14-15-12(9-20-14)7-17-5-3-13(16-17)11-4-6-19-8-11/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole?
2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 305.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-4-[(3-thiophen-3-ylpyrazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 75468243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).