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

C18H22N4OS — CID 58935915

IUPAC6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC2CCc2ccc3c(=O)[nH][nH]c3c2)s1
InChIInChI=1S/C18H22N4OS/c1-11-10-19-18(24-11)20-15-4-2-3-13(15)7-5-12-6-8-14-16(9-12)21-22-17(14)23/h6,8-10,13,15H,2-5,7H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyDUAWHNMZBVGLEE-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.83
Rot. Bonds5

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

6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one (PubChem CID 58935915) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one
PubChem CID58935915
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2CCCC2CCc2ccc3c(=O)[nH][nH]c3c2)s1
InChIInChI=1S/C18H22N4OS/c1-11-10-19-18(24-11)20-15-4-2-3-13(15)7-5-12-6-8-14-16(9-12)21-22-17(14)23/h6,8-10,13,15H,2-5,7H2,1H3,(H,19,20)(H2,21,22,23)
InChIKeyDUAWHNMZBVGLEE-UHFFFAOYSA-N
XLogP3.83
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one (CID 58935915) is 6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one is Cc1cnc(NC2CCCC2CCc2ccc3c(=O)[nH][nH]c3c2)s1.
What is the InChIKey of 6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one?
The InChIKey is DUAWHNMZBVGLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-11-10-19-18(24-11)20-15-4-2-3-13(15)7-5-12-6-8-14-16(9-12)21-22-17(14)23/h6,8-10,13,15H,2-5,7H2,1H3,(H,19,20)(H2,21,22,23).
What are the key properties of 6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one?
6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one has a molecular weight of 342.47 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[(5-methyl-1,3-thiazol-2-yl)amino]cyclopentyl]ethyl]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).