5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine

C14H16BrFN2S — CID 107602467

IUPAC5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1c(F)cccc1Br
InChIInChI=1S/C14H16BrFN2S/c1-14(2,3)12-11(19-13(17)18-12)7-8-9(15)5-4-6-10(8)16/h4-6H,7H2,1-3H3,(H2,17,18)
InChIKeyOVWAQVGXQUEWJC-UHFFFAOYSA-N
MW343.27 g/mol
LogP4.52
Rot. Bonds2

About 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine

5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (PubChem CID 107602467) has the molecular formula C14H16BrFN2S and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
PubChem CID107602467
Molecular FormulaC14H16BrFN2S
Molecular Weight343.27 g/mol
Exact Mass342.02
IUPAC Name5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
SMILESCC(C)(C)c1nc(N)sc1Cc1c(F)cccc1Br
InChIInChI=1S/C14H16BrFN2S/c1-14(2,3)12-11(19-13(17)18-12)7-8-9(15)5-4-6-10(8)16/h4-6H,7H2,1-3H3,(H2,17,18)
InChIKeyOVWAQVGXQUEWJC-UHFFFAOYSA-N
XLogP4.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 62066857
4-tert-butyl-5-[(2-chloro-6-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 66250380
5-[(2-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 82766257
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 141216793
5-[(3-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 107577223
5-[(2,6-difluorophenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62065021
4-tert-butyl-5-[(2-chloro-5-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 107530840
5-[(5-bromo-2-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 63399247
4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 141228989
4-tert-butyl-5-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 62066478
5-[(5-bromo-3-pyridinyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 114223006
5-(1,3-benzodioxol-5-ylmethyl)-4-tert-butyl-1,3-thiazol-2-amine;bromobenzene
CID 174956679

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine (CID 107602467) is 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is CC(C)(C)c1nc(N)sc1Cc1c(F)cccc1Br.
What is the InChIKey of 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
The InChIKey is OVWAQVGXQUEWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2S/c1-14(2,3)12-11(19-13(17)18-12)7-8-9(15)5-4-6-10(8)16/h4-6H,7H2,1-3H3,(H2,17,18).
What are the key properties of 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine?
5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine has a molecular weight of 343.27 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-6-fluorophenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine is sourced from PubChem (CID 107602467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).