1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C12H12N4OS — CID 2997814

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCc1cc(C)n(C(=O)Cc2cn3ccsc3n2)n1
InChIInChI=1S/C12H12N4OS/c1-8-5-9(2)16(14-8)11(17)6-10-7-15-3-4-18-12(15)13-10/h3-5,7H,6H2,1-2H3
InChIKeyOFCLBMHKZAVAPJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.09
Rot. Bonds2

About 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 2997814) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID2997814
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCc1cc(C)n(C(=O)Cc2cn3ccsc3n2)n1
InChIInChI=1S/C12H12N4OS/c1-8-5-9(2)16(14-8)11(17)6-10-7-15-3-4-18-12(15)13-10/h3-5,7H,6H2,1-2H3
InChIKeyOFCLBMHKZAVAPJ-UHFFFAOYSA-N
XLogP2.09
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 2997814) is 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is Cc1cc(C)n(C(=O)Cc2cn3ccsc3n2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is OFCLBMHKZAVAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-8-5-9(2)16(14-8)11(17)6-10-7-15-3-4-18-12(15)13-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 260.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 2997814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).