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

C13H14BrFN2S — CID 107626944

IUPAC5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cc(F)ccc1Br
InChIInChI=1S/C13H14BrFN2S/c1-7(2)12-11(18-13(16)17-12)6-8-5-9(15)3-4-10(8)14/h3-5,7H,6H2,1-2H3,(H2,16,17)
InChIKeyFUAWPCSLYQFJBV-UHFFFAOYSA-N
MW329.24 g/mol
LogP4.34
Rot. Bonds3

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

5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 107626944) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
PubChem CID107626944
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1nc(N)sc1Cc1cc(F)ccc1Br
InChIInChI=1S/C13H14BrFN2S/c1-7(2)12-11(18-13(16)17-12)6-8-5-9(15)3-4-10(8)14/h3-5,7H,6H2,1-2H3,(H2,16,17)
InChIKeyFUAWPCSLYQFJBV-UHFFFAOYSA-N
XLogP4.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065016
5-[(5-bromo-2-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 55188232
5-[(3-fluoro-2-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065750
5-[(2,6-dichloro-4-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 83078293
5-[(4-fluoro-3-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 55118846
4-propan-2-yl-5-[(2-propylphenyl)methyl]-1,3-thiazol-2-amine
CID 63399403
5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065378
2-[(2-amino-4-propan-2-yl-1,3-thiazol-5-yl)methyl]-4-chlorobenzonitrile
CID 64919870
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
2-(2-bromo-5-fluorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105088383
5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065554
5-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 105434610

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine (CID 107626944) is 5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1nc(N)sc1Cc1cc(F)ccc1Br.
What is the InChIKey of 5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is FUAWPCSLYQFJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-7(2)12-11(18-13(16)17-12)6-8-5-9(15)3-4-10(8)14/h3-5,7H,6H2,1-2H3,(H2,16,17).
What are the key properties of 5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine?
5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 329.24 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 107626944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).