5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde

C12H9N3OS — CID 88928943

IUPAC5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde
SMILESCc1cnc(-c2ccc3n[nH]c(C=O)c3c2)s1
InChIInChI=1S/C12H9N3OS/c1-7-5-13-12(17-7)8-2-3-10-9(4-8)11(6-16)15-14-10/h2-6H,1H3,(H,14,15)
InChIKeyMWXREUFCXKQACK-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.81
Rot. Bonds2

About 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde

5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde (PubChem CID 88928943) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde
PubChem CID88928943
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde
SMILESCc1cnc(-c2ccc3n[nH]c(C=O)c3c2)s1
InChIInChI=1S/C12H9N3OS/c1-7-5-13-12(17-7)8-2-3-10-9(4-8)11(6-16)15-14-10/h2-6H,1H3,(H,14,15)
InChIKeyMWXREUFCXKQACK-UHFFFAOYSA-N
XLogP2.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde?
The IUPAC name of 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde (CID 88928943) is 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde.
What is the SMILES notation for 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde?
The canonical SMILES for 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde is Cc1cnc(-c2ccc3n[nH]c(C=O)c3c2)s1.
What is the InChIKey of 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde?
The InChIKey is MWXREUFCXKQACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-7-5-13-12(17-7)8-2-3-10-9(4-8)11(6-16)15-14-10/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde?
5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde has a molecular weight of 243.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde is sourced from PubChem (CID 88928943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).