4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

C10H13BrF3N3S — CID 79399733

IUPAC4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)CN1CCC(CNc2nc(Br)cs2)C1
InChIInChI=1S/C10H13BrF3N3S/c11-8-5-18-9(16-8)15-3-7-1-2-17(4-7)6-10(12,13)14/h5,7H,1-4,6H2,(H,15,16)
InChIKeyRVONJKGAOSKTMT-UHFFFAOYSA-N
MW344.20 g/mol
LogP3.20
Rot. Bonds4

About 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine

4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 79399733) has the molecular formula C10H13BrF3N3S and a molecular weight of 344.20 g/mol. Its IUPAC name is 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
PubChem CID79399733
Molecular FormulaC10H13BrF3N3S
Molecular Weight344.20 g/mol
Exact Mass343.00
IUPAC Name4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)CN1CCC(CNc2nc(Br)cs2)C1
InChIInChI=1S/C10H13BrF3N3S/c11-8-5-18-9(16-8)15-3-7-1-2-17(4-7)6-10(12,13)14/h5,7H,1-4,6H2,(H,15,16)
InChIKeyRVONJKGAOSKTMT-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine (CID 79399733) is 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine is FC(F)(F)CN1CCC(CNc2nc(Br)cs2)C1.
What is the InChIKey of 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is RVONJKGAOSKTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3S/c11-8-5-18-9(16-8)15-3-7-1-2-17(4-7)6-10(12,13)14/h5,7H,1-4,6H2,(H,15,16).
What are the key properties of 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine?
4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 344.20 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79399733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).