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

C10H7BrF4N2S — CID 114169760

IUPAC5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
SMILESFC(F)C(F)(F)CNc1nc2cc(Br)ccc2s1
InChIInChI=1S/C10H7BrF4N2S/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)
InChIKeyRILPTBWBVWKLNV-UHFFFAOYSA-N
MW343.14 g/mol
LogP4.37
Rot. Bonds4

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

5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine (PubChem CID 114169760) has the molecular formula C10H7BrF4N2S and a molecular weight of 343.14 g/mol. Its IUPAC name is 5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
PubChem CID114169760
Molecular FormulaC10H7BrF4N2S
Molecular Weight343.14 g/mol
Exact Mass341.94
IUPAC Name5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
SMILESFC(F)C(F)(F)CNc1nc2cc(Br)ccc2s1
InChIInChI=1S/C10H7BrF4N2S/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)
InChIKeyRILPTBWBVWKLNV-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.14
LogP ≤ 54.37
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-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294883
5-chloro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294877
5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine
CID 63227279
5-bromo-N-(4,4,4-trifluorobutyl)-1,3-benzothiazol-2-amine
CID 115520932
6-bromo-N-(2,2,3-trimethylbutyl)-1,3-benzothiazol-2-amine
CID 114101102
N-(5-bromo-1,3-benzothiazol-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43306522
5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 114186531
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115580
5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 43306435
N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247444
3-[(5-bromo-1,3-benzothiazol-2-yl)amino]propanamide
CID 43553812
5-bromo-N-[2-(difluoromethylsulfanyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine (CID 114169760) is 5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine is FC(F)C(F)(F)CNc1nc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine?
The InChIKey is RILPTBWBVWKLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF4N2S/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-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine?
5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine has a molecular weight of 343.14 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114169760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).