5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine

C7H9BrF2N2S — CID 130702321

IUPAC5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(CC(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrF2N2S/c1-4(2-6(9)10)12-7-11-3-5(8)13-7/h3-4,6H,2H2,1H3,(H,11,12)
InChIKeyFLWLSBCNXCTSFY-UHFFFAOYSA-N
MW271.13 g/mol
LogP3.36
Rot. Bonds4

About 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine

5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine (PubChem CID 130702321) has the molecular formula C7H9BrF2N2S and a molecular weight of 271.13 g/mol. Its IUPAC name is 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine
PubChem CID130702321
Molecular FormulaC7H9BrF2N2S
Molecular Weight271.13 g/mol
Exact Mass269.96
IUPAC Name5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine
SMILESCC(CC(F)F)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrF2N2S/c1-4(2-6(9)10)12-7-11-3-5(8)13-7/h3-4,6H,2H2,1H3,(H,11,12)
InChIKeyFLWLSBCNXCTSFY-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.13
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine (CID 130702321) is 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine is CC(CC(F)F)Nc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is FLWLSBCNXCTSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF2N2S/c1-4(2-6(9)10)12-7-11-3-5(8)13-7/h3-4,6H,2H2,1H3,(H,11,12).
What are the key properties of 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine?
5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 271.13 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4,4-difluorobutan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130702321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).