5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine

C8H9BrF2N2S — CID 130617327

IUPAC5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(CNc1ncc(Br)s1)C1CC1
InChIInChI=1S/C8H9BrF2N2S/c9-6-3-12-7(14-6)13-4-8(10,11)5-1-2-5/h3,5H,1-2,4H2,(H,12,13)
InChIKeyAUKXDAUQBUUKKV-UHFFFAOYSA-N
MW283.14 g/mol
LogP3.36
Rot. Bonds4

About 5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine

5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine (PubChem CID 130617327) has the molecular formula C8H9BrF2N2S and a molecular weight of 283.14 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine
PubChem CID130617327
Molecular FormulaC8H9BrF2N2S
Molecular Weight283.14 g/mol
Exact Mass281.96
IUPAC Name5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine
SMILESFC(F)(CNc1ncc(Br)s1)C1CC1
InChIInChI=1S/C8H9BrF2N2S/c9-6-3-12-7(14-6)13-4-8(10,11)5-1-2-5/h3,5H,1-2,4H2,(H,12,13)
InChIKeyAUKXDAUQBUUKKV-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.14
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-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine (CID 130617327) is 5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine is FC(F)(CNc1ncc(Br)s1)C1CC1.
What is the InChIKey of 5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is AUKXDAUQBUUKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2S/c9-6-3-12-7(14-6)13-4-8(10,11)5-1-2-5/h3,5H,1-2,4H2,(H,12,13).
What are the key properties of 5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine?
5-bromo-N-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 283.14 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-(2-cyclopropyl-2,2-difluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130617327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).