1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one

C11H11N3OS — CID 82590894

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1csc(-n2ncc3c2CCCC3=O)n1
InChIInChI=1S/C11H11N3OS/c1-7-6-16-11(13-7)14-9-3-2-4-10(15)8(9)5-12-14/h5-6H,2-4H2,1H3
InChIKeyKFZBPPMFEJIESE-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.16
Rot. Bonds1

About 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one

1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 82590894) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one
PubChem CID82590894
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1csc(-n2ncc3c2CCCC3=O)n1
InChIInChI=1S/C11H11N3OS/c1-7-6-16-11(13-7)14-9-3-2-4-10(15)8(9)5-12-14/h5-6H,2-4H2,1H3
InChIKeyKFZBPPMFEJIESE-UHFFFAOYSA-N
XLogP2.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one (CID 82590894) is 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one is Cc1csc(-n2ncc3c2CCCC3=O)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is KFZBPPMFEJIESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-6-16-11(13-7)14-9-3-2-4-10(15)8(9)5-12-14/h5-6H,2-4H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one?
1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 233.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 82590894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).