2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole

C10H13BrF3N3S — CID 64758530

IUPAC2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)C(Br)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H13BrF3N3S/c11-8(10(12,13)14)7-16-2-4-17(5-3-16)9-15-1-6-18-9/h1,6,8H,2-5,7H2
InChIKeyRPGPBXBNGFQALW-UHFFFAOYSA-N
MW344.20 g/mol
LogP2.59
Rot. Bonds3

About 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole

2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole (PubChem CID 64758530) has the molecular formula C10H13BrF3N3S and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole
PubChem CID64758530
Molecular FormulaC10H13BrF3N3S
Molecular Weight344.20 g/mol
Exact Mass343.00
IUPAC Name2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole
SMILESFC(F)(F)C(Br)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C10H13BrF3N3S/c11-8(10(12,13)14)7-16-2-4-17(5-3-16)9-15-1-6-18-9/h1,6,8H,2-5,7H2
InChIKeyRPGPBXBNGFQALW-UHFFFAOYSA-N
XLogP2.59
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole (CID 64758530) is 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole is FC(F)(F)C(Br)CN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is RPGPBXBNGFQALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3S/c11-8(10(12,13)14)7-16-2-4-17(5-3-16)9-15-1-6-18-9/h1,6,8H,2-5,7H2.
What are the key properties of 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole?
2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 344.20 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromo-3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 64758530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).