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

C10H9ClFNS — CID 130063585

IUPAC5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2cc(Cl)c(F)cc2s1
InChIInChI=1S/C10H9ClFNS/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,1-2H3
InChIKeyBTSGYSOKYOHHNP-UHFFFAOYSA-N
MW229.71 g/mol
LogP4.21
Rot. Bonds1

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

5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole (PubChem CID 130063585) has the molecular formula C10H9ClFNS and a molecular weight of 229.71 g/mol. Its IUPAC name is 5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole
PubChem CID130063585
Molecular FormulaC10H9ClFNS
Molecular Weight229.71 g/mol
Exact Mass229.01
IUPAC Name5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1nc2cc(Cl)c(F)cc2s1
InChIInChI=1S/C10H9ClFNS/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,1-2H3
InChIKeyBTSGYSOKYOHHNP-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole (CID 130063585) is 5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole is CC(C)c1nc2cc(Cl)c(F)cc2s1.
What is the InChIKey of 5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole?
The InChIKey is BTSGYSOKYOHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNS/c1-5(2)10-13-8-3-6(11)7(12)4-9(8)14-10/h3-5H,1-2H3.
What are the key properties of 5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole?
5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole has a molecular weight of 229.71 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-2-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 130063585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).