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

C17H21N5OS — CID 58935910

IUPAC6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)s1
InChIInChI=1S/C17H21N5OS/c1-10-9-18-17(24-10)20-12-4-2-3-11(7-12)19-13-5-6-14-15(8-13)21-22-16(14)23/h5-6,8-9,11-12,19H,2-4,7H2,1H3,(H,18,20)(H2,21,22,23)
InChIKeyMLKNAOLCBSQAJM-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.46
Rot. Bonds4

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

6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one (PubChem CID 58935910) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one
PubChem CID58935910
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)s1
InChIInChI=1S/C17H21N5OS/c1-10-9-18-17(24-10)20-12-4-2-3-11(7-12)19-13-5-6-14-15(8-13)21-22-16(14)23/h5-6,8-9,11-12,19H,2-4,7H2,1H3,(H,18,20)(H2,21,22,23)
InChIKeyMLKNAOLCBSQAJM-UHFFFAOYSA-N
XLogP3.46
TPSA85.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one (CID 58935910) is 6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)s1.
What is the InChIKey of 6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is MLKNAOLCBSQAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-10-9-18-17(24-10)20-12-4-2-3-11(7-12)19-13-5-6-14-15(8-13)21-22-16(14)23/h5-6,8-9,11-12,19H,2-4,7H2,1H3,(H,18,20)(H2,21,22,23).
What are the key properties of 6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one?
6-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 343.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 4 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]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).