1-fluoroisoquinoline;1,3-thiazole

C12H9FN2S — CID 67444968

IUPAC1-fluoroisoquinoline;1,3-thiazole
SMILESFc1nccc2ccccc12.c1cscn1
InChIInChI=1S/C9H6FN.C3H3NS/c10-9-8-4-2-1-3-7(8)5-6-11-9;1-2-5-3-4-1/h1-6H;1-3H
InChIKeyRPLWBHFXZRVCPW-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.52
Rot. Bonds

About 1-fluoroisoquinoline;1,3-thiazole

1-fluoroisoquinoline;1,3-thiazole (PubChem CID 67444968) has the molecular formula C12H9FN2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-fluoroisoquinoline;1,3-thiazole.

Molecular Properties

Compound Name1-fluoroisoquinoline;1,3-thiazole
PubChem CID67444968
Molecular FormulaC12H9FN2S
Molecular Weight232.28 g/mol
Exact Mass232.05
IUPAC Name1-fluoroisoquinoline;1,3-thiazole
SMILESFc1nccc2ccccc12.c1cscn1
InChIInChI=1S/C9H6FN.C3H3NS/c10-9-8-4-2-1-3-7(8)5-6-11-9;1-2-5-3-4-1/h1-6H;1-3H
InChIKeyRPLWBHFXZRVCPW-UHFFFAOYSA-N
XLogP3.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroisoquinoline;1,3-thiazole?
The IUPAC name of 1-fluoroisoquinoline;1,3-thiazole (CID 67444968) is 1-fluoroisoquinoline;1,3-thiazole.
What is the SMILES notation for 1-fluoroisoquinoline;1,3-thiazole?
The canonical SMILES for 1-fluoroisoquinoline;1,3-thiazole is Fc1nccc2ccccc12.c1cscn1.
What is the InChIKey of 1-fluoroisoquinoline;1,3-thiazole?
The InChIKey is RPLWBHFXZRVCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN.C3H3NS/c10-9-8-4-2-1-3-7(8)5-6-11-9;1-2-5-3-4-1/h1-6H;1-3H.
What are the key properties of 1-fluoroisoquinoline;1,3-thiazole?
1-fluoroisoquinoline;1,3-thiazole has a molecular weight of 232.28 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoroisoquinoline;1,3-thiazole is sourced from PubChem (CID 67444968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).