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

C17H20N4O2S — CID 58935986

IUPAC6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1
InChIInChI=1S/C17H20N4O2S/c1-10-9-18-17(24-10)19-11-3-2-4-12(7-11)23-13-5-6-14-15(8-13)20-21-16(14)22/h5-6,8-9,11-12H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyNGZJJYLULKRYQH-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.42
Rot. Bonds4

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

6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one (PubChem CID 58935986) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one
PubChem CID58935986
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1
InChIInChI=1S/C17H20N4O2S/c1-10-9-18-17(24-10)19-11-3-2-4-12(7-11)23-13-5-6-14-15(8-13)20-21-16(14)22/h5-6,8-9,11-12H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyNGZJJYLULKRYQH-UHFFFAOYSA-N
XLogP3.42
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one (CID 58935986) is 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1.
What is the InChIKey of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one?
The InChIKey is NGZJJYLULKRYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-9-18-17(24-10)19-11-3-2-4-12(7-11)23-13-5-6-14-15(8-13)20-21-16(14)22/h5-6,8-9,11-12H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22).
What are the key properties of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one?
6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 344.44 g/mol, XLogP of 3.42, 4 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]cyclohexyl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).