propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate

C16H14N2O3S — CID 56666606

IUPACpropan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESCC(C)OC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C16H14N2O3S/c1-10(2)21-16(20)14-12-5-3-4-6-13(12)18(17-14)15(19)11-7-8-22-9-11/h3-10H,1-2H3
InChIKeyVONSUXJHJHRFEQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.35
Rot. Bonds3

About propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate

propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (PubChem CID 56666606) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
PubChem CID56666606
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Namepropan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate
SMILESCC(C)OC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12
InChIInChI=1S/C16H14N2O3S/c1-10(2)21-16(20)14-12-5-3-4-6-13(12)18(17-14)15(19)11-7-8-22-9-11/h3-10H,1-2H3
InChIKeyVONSUXJHJHRFEQ-UHFFFAOYSA-N
XLogP3.35
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The IUPAC name of propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate (CID 56666606) is propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The canonical SMILES for propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is CC(C)OC(=O)c1nn(C(=O)c2ccsc2)c2ccccc12.
What is the InChIKey of propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
The InChIKey is VONSUXJHJHRFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-10(2)21-16(20)14-12-5-3-4-6-13(12)18(17-14)15(19)11-7-8-22-9-11/h3-10H,1-2H3.
What are the key properties of propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate?
propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate has a molecular weight of 314.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(thiophene-3-carbonyl)indazole-3-carboxylate is sourced from PubChem (CID 56666606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).