1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione

C15H13N3O2S — CID 103119513

IUPAC1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
SMILESCc1nc(C(=O)CC(=O)c2nn(C)c3ccccc23)cs1
InChIInChI=1S/C15H13N3O2S/c1-9-16-11(8-21-9)13(19)7-14(20)15-10-5-3-4-6-12(10)18(2)17-15/h3-6,8H,7H2,1-2H3
InChIKeyULMHTLRJSBVLCA-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.79
Rot. Bonds4

About 1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione

1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione (PubChem CID 103119513) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
PubChem CID103119513
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione
SMILESCc1nc(C(=O)CC(=O)c2nn(C)c3ccccc23)cs1
InChIInChI=1S/C15H13N3O2S/c1-9-16-11(8-21-9)13(19)7-14(20)15-10-5-3-4-6-12(10)18(2)17-15/h3-6,8H,7H2,1-2H3
InChIKeyULMHTLRJSBVLCA-UHFFFAOYSA-N
XLogP2.79
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.79
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-(1,3-thiazol-4-yl)propane-1,3-dione
CID 103119517
1-(1-methylindazol-3-yl)-3-phenylpropane-1,3-dione
CID 103119110
N-(4-acetyl-1,3-thiazol-2-yl)-1-methylindazole-3-carboxamide
CID 103118181
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)-2-(4-methylphenyl)ethanone
CID 103123957
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
1-(1-methylindazol-3-yl)pent-3-yn-1-one
CID 103124096
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
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-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione?
The IUPAC name of 1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione (CID 103119513) is 1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione?
The canonical SMILES for 1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione is Cc1nc(C(=O)CC(=O)c2nn(C)c3ccccc23)cs1.
What is the InChIKey of 1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione?
The InChIKey is ULMHTLRJSBVLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-16-11(8-21-9)13(19)7-14(20)15-10-5-3-4-6-12(10)18(2)17-15/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione?
1-(1-methylindazol-3-yl)-3-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione has a molecular weight of 299.36 g/mol, XLogP of 2.79, 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-(2-methyl-1,3-thiazol-4-yl)propane-1,3-dione is sourced from PubChem (CID 103119513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).