1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone

C13H11N3OS — CID 103125222

IUPAC1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCn1nc(C(=O)Cc2cncs2)c2ccccc21
InChIInChI=1S/C13H11N3OS/c1-16-11-5-3-2-4-10(11)13(15-16)12(17)6-9-7-14-8-18-9/h2-5,7-8H,6H2,1H3
InChIKeyZGHVLNRKIXVZRK-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.46
Rot. Bonds3

About 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 103125222) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID103125222
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCn1nc(C(=O)Cc2cncs2)c2ccccc21
InChIInChI=1S/C13H11N3OS/c1-16-11-5-3-2-4-10(11)13(15-16)12(17)6-9-7-14-8-18-9/h2-5,7-8H,6H2,1H3
InChIKeyZGHVLNRKIXVZRK-UHFFFAOYSA-N
XLogP2.46
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
CID 103123957
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 103124107
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione
CID 103119517
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone
CID 103124833
1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
CID 103119513
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
1-(1-methylindazol-3-yl)pent-3-yn-1-one
CID 103124096
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
1-(1-methylindazol-3-yl)hex-4-yn-1-one
CID 103125315

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 103125222) is 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone is Cn1nc(C(=O)Cc2cncs2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is ZGHVLNRKIXVZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-16-11-5-3-2-4-10(11)13(15-16)12(17)6-9-7-14-8-18-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 257.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 103125222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).