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

C19H16N4O2S — CID 88910732

IUPAC[2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCN(C)c1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1
InChIInChI=1S/C19H16N4O2S/c1-22(2)14-9-7-13(8-10-14)18-15-5-3-4-6-16(15)23(21-18)19-20-17(11-26-19)25-12-24/h3-12H,1-2H3
InChIKeyRHYLRSHQWFGNOZ-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.75
Rot. Bonds5

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

[2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 88910732) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is [2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID88910732
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name[2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate
SMILESCN(C)c1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1
InChIInChI=1S/C19H16N4O2S/c1-22(2)14-9-7-13(8-10-14)18-15-5-3-4-6-16(15)23(21-18)19-20-17(11-26-19)25-12-24/h3-12H,1-2H3
InChIKeyRHYLRSHQWFGNOZ-UHFFFAOYSA-N
XLogP3.75
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate (CID 88910732) is [2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate is CN(C)c1ccc(-c2nn(-c3nc(OC=O)cs3)c3ccccc23)cc1.
What is the InChIKey of [2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is RHYLRSHQWFGNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-22(2)14-9-7-13(8-10-14)18-15-5-3-4-6-16(15)23(21-18)19-20-17(11-26-19)25-12-24/h3-12H,1-2H3.
What are the key properties of [2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate?
[2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 364.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[4-(dimethylamino)phenyl]indazol-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).