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

C17H20N4OS — CID 10245957

IUPAC5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1
InChIInChI=1S/C17H20N4OS/c1-10-9-18-17(23-10)19-13-4-2-3-11(7-13)12-5-6-15-14(8-12)16(22)21-20-15/h5-6,8-9,11,13H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyXIBXAXPBZILUSR-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.76
Rot. Bonds3

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

5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one (PubChem CID 10245957) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one
PubChem CID10245957
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1
InChIInChI=1S/C17H20N4OS/c1-10-9-18-17(23-10)19-13-4-2-3-11(7-13)12-5-6-15-14(8-12)16(22)21-20-15/h5-6,8-9,11,13H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22)
InChIKeyXIBXAXPBZILUSR-UHFFFAOYSA-N
XLogP3.76
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one (CID 10245957) is 5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCCC(c3ccc4[nH][nH]c(=O)c4c3)C2)s1.
What is the InChIKey of 5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one?
The InChIKey is XIBXAXPBZILUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-10-9-18-17(23-10)19-13-4-2-3-11(7-13)12-5-6-15-14(8-12)16(22)21-20-15/h5-6,8-9,11,13H,2-4,7H2,1H3,(H,18,19)(H2,20,21,22).
What are the key properties of 5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one?
5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one has a molecular weight of 328.44 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclohexyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 10245957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).