N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C10H10BrFN2S — CID 50913560

IUPACN-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1c(Br)cccc1CNC1=NCCS1
InChIInChI=1S/C10H10BrFN2S/c11-8-3-1-2-7(9(8)12)6-14-10-13-4-5-15-10/h1-3H,4-6H2,(H,13,14)
InChIKeyCCJMAWQGSYAXGE-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.78
Rot. Bonds2

About N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 50913560) has the molecular formula C10H10BrFN2S and a molecular weight of 289.17 g/mol. Its IUPAC name is N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID50913560
Molecular FormulaC10H10BrFN2S
Molecular Weight289.17 g/mol
Exact Mass287.97
IUPAC NameN-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1c(Br)cccc1CNC1=NCCS1
InChIInChI=1S/C10H10BrFN2S/c11-8-3-1-2-7(9(8)12)6-14-10-13-4-5-15-10/h1-3H,4-6H2,(H,13,14)
InChIKeyCCJMAWQGSYAXGE-UHFFFAOYSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 50913560) is N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Fc1c(Br)cccc1CNC1=NCCS1.
What is the InChIKey of N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CCJMAWQGSYAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2S/c11-8-3-1-2-7(9(8)12)6-14-10-13-4-5-15-10/h1-3H,4-6H2,(H,13,14).
What are the key properties of N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 289.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 50913560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).