5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine

C10H7F5N2S — CID 106294883

IUPAC5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(NCC(F)(F)C(F)F)nc2c1
InChIInChI=1S/C10H7F5N2S/c11-5-1-2-7-6(3-5)17-9(18-7)16-4-10(14,15)8(12)13/h1-3,8H,4H2,(H,16,17)
InChIKeyKOMHGXPQADNBEX-UHFFFAOYSA-N
MW282.24 g/mol
LogP3.75
Rot. Bonds4

About 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine

5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine (PubChem CID 106294883) has the molecular formula C10H7F5N2S and a molecular weight of 282.24 g/mol. Its IUPAC name is 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
PubChem CID106294883
Molecular FormulaC10H7F5N2S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(NCC(F)(F)C(F)F)nc2c1
InChIInChI=1S/C10H7F5N2S/c11-5-1-2-7-6(3-5)17-9(18-7)16-4-10(14,15)8(12)13/h1-3,8H,4H2,(H,16,17)
InChIKeyKOMHGXPQADNBEX-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 114169760
5-chloro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294877
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 63958238
N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247444
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 114101101
ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
CID 60810692
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311082

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine (CID 106294883) is 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine is Fc1ccc2sc(NCC(F)(F)C(F)F)nc2c1.
What is the InChIKey of 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine?
The InChIKey is KOMHGXPQADNBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5N2S/c11-5-1-2-7-6(3-5)17-9(18-7)16-4-10(14,15)8(12)13/h1-3,8H,4H2,(H,16,17).
What are the key properties of 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine has a molecular weight of 282.24 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106294883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).