6-fluoro-2-propoxy-1,3-benzothiazole

C10H10FNOS — CID 14795456

IUPAC6-fluoro-2-propoxy-1,3-benzothiazole
SMILESCCCOc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H10FNOS/c1-2-5-13-10-12-8-4-3-7(11)6-9(8)14-10/h3-4,6H,2,5H2,1H3
InChIKeyBDKNVXJVRQTNCW-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.22
Rot. Bonds3

About 6-fluoro-2-propoxy-1,3-benzothiazole

6-fluoro-2-propoxy-1,3-benzothiazole (PubChem CID 14795456) has the molecular formula C10H10FNOS and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-fluoro-2-propoxy-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-propoxy-1,3-benzothiazole
PubChem CID14795456
Molecular FormulaC10H10FNOS
Molecular Weight211.26 g/mol
Exact Mass211.05
IUPAC Name6-fluoro-2-propoxy-1,3-benzothiazole
SMILESCCCOc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H10FNOS/c1-2-5-13-10-12-8-4-3-7(11)6-9(8)14-10/h3-4,6H,2,5H2,1H3
InChIKeyBDKNVXJVRQTNCW-UHFFFAOYSA-N
XLogP3.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-propoxy-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-propoxy-1,3-benzothiazole (CID 14795456) is 6-fluoro-2-propoxy-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-propoxy-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-propoxy-1,3-benzothiazole is CCCOc1nc2ccc(F)cc2s1.
What is the InChIKey of 6-fluoro-2-propoxy-1,3-benzothiazole?
The InChIKey is BDKNVXJVRQTNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNOS/c1-2-5-13-10-12-8-4-3-7(11)6-9(8)14-10/h3-4,6H,2,5H2,1H3.
What are the key properties of 6-fluoro-2-propoxy-1,3-benzothiazole?
6-fluoro-2-propoxy-1,3-benzothiazole has a molecular weight of 211.26 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propoxy-1,3-benzothiazole is sourced from PubChem (CID 14795456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).