1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione

C14H11N3O2S — CID 103119517

IUPAC1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione
SMILESCn1nc(C(=O)CC(=O)c2cscn2)c2ccccc21
InChIInChI=1S/C14H11N3O2S/c1-17-11-5-3-2-4-9(11)14(16-17)13(19)6-12(18)10-7-20-8-15-10/h2-5,7-8H,6H2,1H3
InChIKeyUGCDSOGBULICDH-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.49
Rot. Bonds4

About 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione

1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione (PubChem CID 103119517) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione
PubChem CID103119517
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione
SMILESCn1nc(C(=O)CC(=O)c2cscn2)c2ccccc21
InChIInChI=1S/C14H11N3O2S/c1-17-11-5-3-2-4-9(11)14(16-17)13(19)6-12(18)10-7-20-8-15-10/h2-5,7-8H,6H2,1H3
InChIKeyUGCDSOGBULICDH-UHFFFAOYSA-N
XLogP2.49
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
CID 103119513
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222
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
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
N-[2-(1-methylindazol-3-yl)-2-oxoethyl]benzamide
CID 139216501
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
CID 103123957
1-(1-methylindazol-3-yl)-3-(oxolan-3-yl)propane-1,3-dione
CID 103119509

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione?
The IUPAC name of 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione (CID 103119517) is 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione?
The canonical SMILES for 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione is Cn1nc(C(=O)CC(=O)c2cscn2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione?
The InChIKey is UGCDSOGBULICDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-17-11-5-3-2-4-9(11)14(16-17)13(19)6-12(18)10-7-20-8-15-10/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione?
1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione has a molecular weight of 285.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-3-(1,3-thiazol-4-yl)propane-1,3-dione is sourced from PubChem (CID 103119517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).