6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one

C14H16N4O2S — CID 58936126

IUPAC6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NCCCOc2ccc3c(=O)[nH][nH]c3c2)s1
InChIInChI=1S/C14H16N4O2S/c1-9-8-16-14(21-9)15-5-2-6-20-10-3-4-11-12(7-10)17-18-13(11)19/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyONKKCANZXWRIID-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.50
Rot. Bonds6

About 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one

6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one (PubChem CID 58936126) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one
PubChem CID58936126
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NCCCOc2ccc3c(=O)[nH][nH]c3c2)s1
InChIInChI=1S/C14H16N4O2S/c1-9-8-16-14(21-9)15-5-2-6-20-10-3-4-11-12(7-10)17-18-13(11)19/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyONKKCANZXWRIID-UHFFFAOYSA-N
XLogP2.50
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one 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 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one (CID 58936126) is 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one is Cc1cnc(NCCCOc2ccc3c(=O)[nH][nH]c3c2)s1.
What is the InChIKey of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one?
The InChIKey is ONKKCANZXWRIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-9-8-16-14(21-9)15-5-2-6-20-10-3-4-11-12(7-10)17-18-13(11)19/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)(H2,17,18,19).
What are the key properties of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one?
6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one has a molecular weight of 304.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]propoxy]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).