ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole

C12H16FNS — CID 163391719

IUPACethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole
SMILESCC.CC(C)c1ccc(F)c2scnc12
InChIInChI=1S/C10H10FNS.C2H6/c1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-2/h3-6H,1-2H3;1-2H3
InChIKeyBQIKVIKMBQPXLO-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.59
Rot. Bonds1

About ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole

ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole (PubChem CID 163391719) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Nameethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole
PubChem CID163391719
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Nameethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole
SMILESCC.CC(C)c1ccc(F)c2scnc12
InChIInChI=1S/C10H10FNS.C2H6/c1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-2/h3-6H,1-2H3;1-2H3
InChIKeyBQIKVIKMBQPXLO-UHFFFAOYSA-N
XLogP4.59
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole?
The IUPAC name of ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole (CID 163391719) is ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole is CC.CC(C)c1ccc(F)c2scnc12.
What is the InChIKey of ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole?
The InChIKey is BQIKVIKMBQPXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS.C2H6/c1-6(2)7-3-4-8(11)10-9(7)12-5-13-10;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole?
ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole has a molecular weight of 225.33 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-fluoro-4-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 163391719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).