4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine

C12H10BrFN2S — CID 82963453

IUPAC4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine
SMILESFc1cc(Br)ccc1-c1csc(NC2CC2)n1
InChIInChI=1S/C12H10BrFN2S/c13-7-1-4-9(10(14)5-7)11-6-17-12(16-11)15-8-2-3-8/h1,4-6,8H,2-3H2,(H,15,16)
InChIKeyFIPJCJLOTVFFHI-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.29
Rot. Bonds3

About 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine

4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 82963453) has the molecular formula C12H10BrFN2S and a molecular weight of 313.20 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine
PubChem CID82963453
Molecular FormulaC12H10BrFN2S
Molecular Weight313.20 g/mol
Exact Mass311.97
IUPAC Name4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine
SMILESFc1cc(Br)ccc1-c1csc(NC2CC2)n1
InChIInChI=1S/C12H10BrFN2S/c13-7-1-4-9(10(14)5-7)11-6-17-12(16-11)15-8-2-3-8/h1,4-6,8H,2-3H2,(H,15,16)
InChIKeyFIPJCJLOTVFFHI-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine (CID 82963453) is 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine is Fc1cc(Br)ccc1-c1csc(NC2CC2)n1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is FIPJCJLOTVFFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2S/c13-7-1-4-9(10(14)5-7)11-6-17-12(16-11)15-8-2-3-8/h1,4-6,8H,2-3H2,(H,15,16).
What are the key properties of 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine?
4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 313.20 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82963453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).