1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone

C17H13N3OS2 — CID 66856293

IUPAC1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2c(C)nn3ccsc23)nc1-c1ccccc1
InChIInChI=1S/C17H13N3OS2/c1-10-13(17-20(19-10)8-9-22-17)16-18-14(15(23-16)11(2)21)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyJAUCARJIVWLGGM-UHFFFAOYSA-N
MW339.45 g/mol
LogP4.70
Rot. Bonds3

About 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone

1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone (PubChem CID 66856293) has the molecular formula C17H13N3OS2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone
PubChem CID66856293
Molecular FormulaC17H13N3OS2
Molecular Weight339.45 g/mol
Exact Mass339.05
IUPAC Name1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2c(C)nn3ccsc23)nc1-c1ccccc1
InChIInChI=1S/C17H13N3OS2/c1-10-13(17-20(19-10)8-9-22-17)16-18-14(15(23-16)11(2)21)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyJAUCARJIVWLGGM-UHFFFAOYSA-N
XLogP4.70
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone (CID 66856293) is 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2c(C)nn3ccsc23)nc1-c1ccccc1.
What is the InChIKey of 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is JAUCARJIVWLGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS2/c1-10-13(17-20(19-10)8-9-22-17)16-18-14(15(23-16)11(2)21)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone?
1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 339.45 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methylpyrazolo[5,1-b][1,3]thiazol-7-yl)-4-phenyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 66856293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).