8-fluoro-4-methylquinoline-2-carbothioamide

C11H9FN2S — CID 82574203

IUPAC8-fluoro-4-methylquinoline-2-carbothioamide
SMILESCc1cc(C(N)=S)nc2c(F)cccc12
InChIInChI=1S/C11H9FN2S/c1-6-5-9(11(13)15)14-10-7(6)3-2-4-8(10)12/h2-5H,1H3,(H2,13,15)
InChIKeyDLOCLRPQDOXEBW-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.32
Rot. Bonds1

About 8-fluoro-4-methylquinoline-2-carbothioamide

8-fluoro-4-methylquinoline-2-carbothioamide (PubChem CID 82574203) has the molecular formula C11H9FN2S and a molecular weight of 220.27 g/mol. Its IUPAC name is 8-fluoro-4-methylquinoline-2-carbothioamide.

Molecular Properties

Compound Name8-fluoro-4-methylquinoline-2-carbothioamide
PubChem CID82574203
Molecular FormulaC11H9FN2S
Molecular Weight220.27 g/mol
Exact Mass220.05
IUPAC Name8-fluoro-4-methylquinoline-2-carbothioamide
SMILESCc1cc(C(N)=S)nc2c(F)cccc12
InChIInChI=1S/C11H9FN2S/c1-6-5-9(11(13)15)14-10-7(6)3-2-4-8(10)12/h2-5H,1H3,(H2,13,15)
InChIKeyDLOCLRPQDOXEBW-UHFFFAOYSA-N
XLogP2.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-methylquinoline-2-carbothioamide?
The IUPAC name of 8-fluoro-4-methylquinoline-2-carbothioamide (CID 82574203) is 8-fluoro-4-methylquinoline-2-carbothioamide.
What is the SMILES notation for 8-fluoro-4-methylquinoline-2-carbothioamide?
The canonical SMILES for 8-fluoro-4-methylquinoline-2-carbothioamide is Cc1cc(C(N)=S)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-4-methylquinoline-2-carbothioamide?
The InChIKey is DLOCLRPQDOXEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2S/c1-6-5-9(11(13)15)14-10-7(6)3-2-4-8(10)12/h2-5H,1H3,(H2,13,15).
What are the key properties of 8-fluoro-4-methylquinoline-2-carbothioamide?
8-fluoro-4-methylquinoline-2-carbothioamide has a molecular weight of 220.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-methylquinoline-2-carbothioamide is sourced from PubChem (CID 82574203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).