5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione

C15H13FN2O2S — CID 61227933

IUPAC5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCC(C)c1nc(CN2C(=O)C(=O)c3cc(F)ccc32)cs1
InChIInChI=1S/C15H13FN2O2S/c1-8(2)14-17-10(7-21-14)6-18-12-4-3-9(16)5-11(12)13(19)15(18)20/h3-5,7-8H,6H2,1-2H3
InChIKeyQAAVVDSEWQMCPX-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.14
Rot. Bonds3

About 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione

5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (PubChem CID 61227933) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
PubChem CID61227933
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione
SMILESCC(C)c1nc(CN2C(=O)C(=O)c3cc(F)ccc32)cs1
InChIInChI=1S/C15H13FN2O2S/c1-8(2)14-17-10(7-21-14)6-18-12-4-3-9(16)5-11(12)13(19)15(18)20/h3-5,7-8H,6H2,1-2H3
InChIKeyQAAVVDSEWQMCPX-UHFFFAOYSA-N
XLogP3.14
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione (CID 61227933) is 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is CC(C)c1nc(CN2C(=O)C(=O)c3cc(F)ccc32)cs1.
What is the InChIKey of 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
The InChIKey is QAAVVDSEWQMCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-8(2)14-17-10(7-21-14)6-18-12-4-3-9(16)5-11(12)13(19)15(18)20/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione?
5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione has a molecular weight of 304.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61227933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).