[2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

C17H10ClN3O2S — CID 88910711

IUPAC[2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccc(Cl)cc3)c3ccccc32)n1
InChIInChI=1S/C17H10ClN3O2S/c18-12-7-5-11(6-8-12)16-13-3-1-2-4-14(13)21(20-16)17-19-15(9-24-17)23-10-22/h1-10H
InChIKeyPVNGDZAXLDCORH-UHFFFAOYSA-N
MW355.81 g/mol
LogP4.34
Rot. Bonds4

About [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate

[2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910711) has the molecular formula C17H10ClN3O2S and a molecular weight of 355.81 g/mol. Its IUPAC name is [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910711
Molecular FormulaC17H10ClN3O2S
Molecular Weight355.81 g/mol
Exact Mass355.02
IUPAC Name[2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccc(Cl)cc3)c3ccccc32)n1
InChIInChI=1S/C17H10ClN3O2S/c18-12-7-5-11(6-8-12)16-13-3-1-2-4-14(13)21(20-16)17-19-15(9-24-17)23-10-22/h1-10H
InChIKeyPVNGDZAXLDCORH-UHFFFAOYSA-N
XLogP4.34
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910711) is [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccc(Cl)cc3)c3ccccc32)n1.
What is the InChIKey of [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is PVNGDZAXLDCORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2S/c18-12-7-5-11(6-8-12)16-13-3-1-2-4-14(13)21(20-16)17-19-15(9-24-17)23-10-22/h1-10H.
What are the key properties of [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 355.81 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-chlorophenyl)indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).