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

C11H10BrFN2S — CID 43637230

IUPAC5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1ccc(F)cc1Br
InChIInChI=1S/C11H10BrFN2S/c1-6-10(16-11(14)15-6)4-7-2-3-8(13)5-9(7)12/h2-3,5H,4H2,1H3,(H2,14,15)
InChIKeyKKNZJCNUIIAUOR-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.53
Rot. Bonds2

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

5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43637230) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43637230
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1ccc(F)cc1Br
InChIInChI=1S/C11H10BrFN2S/c1-6-10(16-11(14)15-6)4-7-2-3-8(13)5-9(7)12/h2-3,5H,4H2,1H3,(H2,14,15)
InChIKeyKKNZJCNUIIAUOR-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 43637230) is 5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1Cc1ccc(F)cc1Br.
What is the InChIKey of 5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KKNZJCNUIIAUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-6-10(16-11(14)15-6)4-7-2-3-8(13)5-9(7)12/h2-3,5H,4H2,1H3,(H2,14,15).
What are the key properties of 5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 301.18 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43637230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).