2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one

C11H9N3OS — CID 14898745

IUPAC2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1Cc1cncs1
InChIInChI=1S/C11H9N3OS/c15-11-9-3-1-2-4-10(9)13-14(11)6-8-5-12-7-16-8/h1-5,7,13H,6H2
InChIKeyKPXSUQVYEHMEMW-UHFFFAOYSA-N
MW231.28 g/mol
LogP1.83
Rot. Bonds2

About 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one

2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one (PubChem CID 14898745) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one
PubChem CID14898745
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1Cc1cncs1
InChIInChI=1S/C11H9N3OS/c15-11-9-3-1-2-4-10(9)13-14(11)6-8-5-12-7-16-8/h1-5,7,13H,6H2
InChIKeyKPXSUQVYEHMEMW-UHFFFAOYSA-N
XLogP1.83
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-azetidine]-2-one
CID 134787247
1'-(1,3-thiazol-5-ylmethyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 134789644
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 71998039
N-cyclopropyl-2-[(5-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 132288021
(2-Ethyl-3-methylpyrrolidin-1-yl)-[3-(1,3-thiazol-5-ylmethylamino)phenyl]methanone
CID 136561694
N-[2-(dimethylamino)ethyl]-2-[(5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene)methyl]-N-methyl-1,3-thiazole-5-carboxamide
CID 167732394
N-[2-(diethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,3-thiazole-5-carboxamide
CID 178356475
N-[2-(dimethylamino)ethyl]-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-1,3-thiazole-5-carboxamide
CID 178356498
N-[3-oxo-2-[3-(trifluoromethyl)phenyl]-1H-isoindol-4-yl]-1,3-thiazole-5-carboxamide
CID 58578193
2-amino-5-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 54906209
2-amino-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55100153
3-fluoro-2-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 55100163

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one?
The IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one (CID 14898745) is 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one is O=c1c2ccccc2[nH]n1Cc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one?
The InChIKey is KPXSUQVYEHMEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c15-11-9-3-1-2-4-10(9)13-14(11)6-8-5-12-7-16-8/h1-5,7,13H,6H2.
What are the key properties of 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one?
2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one has a molecular weight of 231.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethyl)-1H-indazol-3-one is sourced from PubChem (CID 14898745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).