4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione

C14H10F2N2O2S — CID 62070844

IUPAC4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
SMILESCc1ncsc1CCN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C14H10F2N2O2S/c1-7-11(21-6-17-7)2-3-18-10-5-8(15)4-9(16)12(10)13(19)14(18)20/h4-6H,2-3H2,1H3
InChIKeyGZGIZQVKLKCRFY-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.50
Rot. Bonds3

About 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione

4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione (PubChem CID 62070844) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione.

Molecular Properties

Compound Name4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
PubChem CID62070844
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC Name4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione
SMILESCc1ncsc1CCN1C(=O)C(=O)c2c(F)cc(F)cc21
InChIInChI=1S/C14H10F2N2O2S/c1-7-11(21-6-17-7)2-3-18-10-5-8(15)4-9(16)12(10)13(19)14(18)20/h4-6H,2-3H2,1H3
InChIKeyGZGIZQVKLKCRFY-UHFFFAOYSA-N
XLogP2.50
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.50
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 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione?
The IUPAC name of 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione (CID 62070844) is 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione.
What is the SMILES notation for 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione?
The canonical SMILES for 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione is Cc1ncsc1CCN1C(=O)C(=O)c2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione?
The InChIKey is GZGIZQVKLKCRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c1-7-11(21-6-17-7)2-3-18-10-5-8(15)4-9(16)12(10)13(19)14(18)20/h4-6H,2-3H2,1H3.
What are the key properties of 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione?
4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione has a molecular weight of 308.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]indole-2,3-dione is sourced from PubChem (CID 62070844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).