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

C10H8BrF3N2S — CID 63227279

IUPAC5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)CCNc1nc2cc(Br)ccc2s1
InChIInChI=1S/C10H8BrF3N2S/c11-6-1-2-8-7(5-6)16-9(17-8)15-4-3-10(12,13)14/h1-2,5H,3-4H2,(H,15,16)
InChIKeyRZGIIWLSOBUACF-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.42
Rot. Bonds3

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

5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine (PubChem CID 63227279) has the molecular formula C10H8BrF3N2S and a molecular weight of 325.15 g/mol. Its IUPAC name is 5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine
PubChem CID63227279
Molecular FormulaC10H8BrF3N2S
Molecular Weight325.15 g/mol
Exact Mass323.95
IUPAC Name5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine
SMILESFC(F)(F)CCNc1nc2cc(Br)ccc2s1
InChIInChI=1S/C10H8BrF3N2S/c11-6-1-2-8-7(5-6)16-9(17-8)15-4-3-10(12,13)14/h1-2,5H,3-4H2,(H,15,16)
InChIKeyRZGIIWLSOBUACF-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4,4,4-trifluorobutyl)-1,3-benzothiazol-2-amine
CID 115520932
5-bromo-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 114169760
3-[(5-bromo-1,3-benzothiazol-2-yl)amino]propanamide
CID 43553812
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115580
N-(5-bromo-1,3-benzothiazol-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43306522
methyl 3-[(5-bromo-1,3-benzothiazol-2-yl)amino]propanoate
CID 61295192
5-bromo-N-(3-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113487887
N-(5-bromo-1,3-benzothiazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62979402
6-bromo-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-benzothiazol-2-amine
CID 114188125
5-bromo-N-(1,2-oxazol-5-ylmethyl)-1,3-benzothiazol-2-amine
CID 114186531
5-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-2-amine
CID 106419885
5-bromo-N-(thiolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 80585921

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine (CID 63227279) is 5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine is FC(F)(F)CCNc1nc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine?
The InChIKey is RZGIIWLSOBUACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2S/c11-6-1-2-8-7(5-6)16-9(17-8)15-4-3-10(12,13)14/h1-2,5H,3-4H2,(H,15,16).
What are the key properties of 5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine?
5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine has a molecular weight of 325.15 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,3,3-trifluoropropyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63227279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).