5-fluoro-6-propan-2-yl-1,3-benzothiazole

C10H10FNS — CID 118410743

IUPAC5-fluoro-6-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1cc2scnc2cc1F
InChIInChI=1S/C10H10FNS/c1-6(2)7-3-10-9(4-8(7)11)12-5-13-10/h3-6H,1-2H3
InChIKeyKCGOXTRUJJLPRW-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.56
Rot. Bonds1

About 5-fluoro-6-propan-2-yl-1,3-benzothiazole

5-fluoro-6-propan-2-yl-1,3-benzothiazole (PubChem CID 118410743) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name5-fluoro-6-propan-2-yl-1,3-benzothiazole
PubChem CID118410743
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name5-fluoro-6-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1cc2scnc2cc1F
InChIInChI=1S/C10H10FNS/c1-6(2)7-3-10-9(4-8(7)11)12-5-13-10/h3-6H,1-2H3
InChIKeyKCGOXTRUJJLPRW-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 5-fluoro-6-propan-2-yl-1,3-benzothiazole (CID 118410743) is 5-fluoro-6-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 5-fluoro-6-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 5-fluoro-6-propan-2-yl-1,3-benzothiazole is CC(C)c1cc2scnc2cc1F.
What is the InChIKey of 5-fluoro-6-propan-2-yl-1,3-benzothiazole?
The InChIKey is KCGOXTRUJJLPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-6(2)7-3-10-9(4-8(7)11)12-5-13-10/h3-6H,1-2H3.
What are the key properties of 5-fluoro-6-propan-2-yl-1,3-benzothiazole?
5-fluoro-6-propan-2-yl-1,3-benzothiazole has a molecular weight of 195.26 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 118410743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).