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

C16H18N4O2S — CID 58936027

IUPAC6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1
InChIInChI=1S/C16H18N4O2S/c1-9-8-17-16(23-9)18-10-2-3-11(6-10)22-12-4-5-13-14(7-12)19-20-15(13)21/h4-5,7-8,10-11H,2-3,6H2,1H3,(H,17,18)(H2,19,20,21)
InChIKeyMXPAYGSEXHZASP-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.03
Rot. Bonds4

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

6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one (PubChem CID 58936027) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one
PubChem CID58936027
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1
InChIInChI=1S/C16H18N4O2S/c1-9-8-17-16(23-9)18-10-2-3-11(6-10)22-12-4-5-13-14(7-12)19-20-15(13)21/h4-5,7-8,10-11H,2-3,6H2,1H3,(H,17,18)(H2,19,20,21)
InChIKeyMXPAYGSEXHZASP-UHFFFAOYSA-N
XLogP3.03
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.03
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]cyclopentyl]oxy-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one (CID 58936027) is 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCC(Oc3ccc4c(=O)[nH][nH]c4c3)C2)s1.
What is the InChIKey of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one?
The InChIKey is MXPAYGSEXHZASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9-8-17-16(23-9)18-10-2-3-11(6-10)22-12-4-5-13-14(7-12)19-20-15(13)21/h4-5,7-8,10-11H,2-3,6H2,1H3,(H,17,18)(H2,19,20,21).
What are the key properties of 6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one?
6-[3-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]oxy-1,2-dihydroindazol-3-one has a molecular weight of 330.41 g/mol, XLogP of 3.03, 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]cyclopentyl]oxy-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58936027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).