5-fluoro-7-propan-2-yl-1,3-benzothiazole

C10H10FNS — CID 170755511

IUPAC5-fluoro-7-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1cc(F)cc2ncsc12
InChIInChI=1S/C10H10FNS/c1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-6H,1-2H3
InChIKeyTTWYMNUMIYVBTC-UHFFFAOYSA-N
MW195.26 g/mol
LogP3.56
Rot. Bonds1

About 5-fluoro-7-propan-2-yl-1,3-benzothiazole

5-fluoro-7-propan-2-yl-1,3-benzothiazole (PubChem CID 170755511) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-fluoro-7-propan-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name5-fluoro-7-propan-2-yl-1,3-benzothiazole
PubChem CID170755511
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name5-fluoro-7-propan-2-yl-1,3-benzothiazole
SMILESCC(C)c1cc(F)cc2ncsc12
InChIInChI=1S/C10H10FNS/c1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-6H,1-2H3
InChIKeyTTWYMNUMIYVBTC-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-7-propan-2-yl-1,3-benzothiazole?
The IUPAC name of 5-fluoro-7-propan-2-yl-1,3-benzothiazole (CID 170755511) is 5-fluoro-7-propan-2-yl-1,3-benzothiazole.
What is the SMILES notation for 5-fluoro-7-propan-2-yl-1,3-benzothiazole?
The canonical SMILES for 5-fluoro-7-propan-2-yl-1,3-benzothiazole is CC(C)c1cc(F)cc2ncsc12.
What is the InChIKey of 5-fluoro-7-propan-2-yl-1,3-benzothiazole?
The InChIKey is TTWYMNUMIYVBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-6H,1-2H3.
What are the key properties of 5-fluoro-7-propan-2-yl-1,3-benzothiazole?
5-fluoro-7-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-7-propan-2-yl-1,3-benzothiazole is sourced from PubChem (CID 170755511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).