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

C16H19N5O2S — CID 58935870

IUPAC6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2COCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)s1
InChIInChI=1S/C16H19N5O2S/c1-9-6-17-16(24-9)19-12-4-11(7-23-8-12)18-10-2-3-13-14(5-10)20-21-15(13)22/h2-3,5-6,11-12,18H,4,7-8H2,1H3,(H,17,19)(H2,20,21,22)
InChIKeyMPVWDXRTOVQUMJ-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.30
Rot. Bonds4

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

6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one (PubChem CID 58935870) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one.

Molecular Properties

Compound Name6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one
PubChem CID58935870
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one
SMILESCc1cnc(NC2COCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)s1
InChIInChI=1S/C16H19N5O2S/c1-9-6-17-16(24-9)19-12-4-11(7-23-8-12)18-10-2-3-13-14(5-10)20-21-15(13)22/h2-3,5-6,11-12,18H,4,7-8H2,1H3,(H,17,19)(H2,20,21,22)
InChIKeyMPVWDXRTOVQUMJ-UHFFFAOYSA-N
XLogP2.30
TPSA94.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one?
The IUPAC name of 6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one (CID 58935870) is 6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one.
What is the SMILES notation for 6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one?
The canonical SMILES for 6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one is Cc1cnc(NC2COCC(Nc3ccc4c(=O)[nH][nH]c4c3)C2)s1.
What is the InChIKey of 6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one?
The InChIKey is MPVWDXRTOVQUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-9-6-17-16(24-9)19-12-4-11(7-23-8-12)18-10-2-3-13-14(5-10)20-21-15(13)22/h2-3,5-6,11-12,18H,4,7-8H2,1H3,(H,17,19)(H2,20,21,22).
What are the key properties of 6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one?
6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one has a molecular weight of 345.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(5-methyl-1,3-thiazol-2-yl)amino]oxan-3-yl]amino]-1,2-dihydroindazol-3-one is sourced from PubChem (CID 58935870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).