5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one

C21H20N4O3S — CID 140960539

IUPAC5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cccc(CN5CCOCC5)c4)ccc32)S(=O)N1
InChIInChI=1S/C21H20N4O3S/c26-20-12-21(29(27)23-20)25-19-5-4-17(11-18(19)13-22-25)16-3-1-2-15(10-16)14-24-6-8-28-9-7-24/h1-5,10-13H,6-9,14H2,(H,23,26)
InChIKeyBGCPELNTWXIOKF-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.13
Rot. Bonds4

About 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one

5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one (PubChem CID 140960539) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
PubChem CID140960539
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
SMILESO=C1C=C(n2ncc3cc(-c4cccc(CN5CCOCC5)c4)ccc32)S(=O)N1
InChIInChI=1S/C21H20N4O3S/c26-20-12-21(29(27)23-20)25-19-5-4-17(11-18(19)13-22-25)16-3-1-2-15(10-16)14-24-6-8-28-9-7-24/h1-5,10-13H,6-9,14H2,(H,23,26)
InChIKeyBGCPELNTWXIOKF-UHFFFAOYSA-N
XLogP2.13
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The IUPAC name of 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one (CID 140960539) is 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one.
What is the SMILES notation for 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The canonical SMILES for 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one is O=C1C=C(n2ncc3cc(-c4cccc(CN5CCOCC5)c4)ccc32)S(=O)N1.
What is the InChIKey of 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
The InChIKey is BGCPELNTWXIOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c26-20-12-21(29(27)23-20)25-19-5-4-17(11-18(19)13-22-25)16-3-1-2-15(10-16)14-24-6-8-28-9-7-24/h1-5,10-13H,6-9,14H2,(H,23,26).
What are the key properties of 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one?
5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one has a molecular weight of 408.48 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one is sourced from PubChem (CID 140960539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).