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

C10H8BrFN2S — CID 78982895

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(CNc2nccs2)cc1Br
InChIInChI=1S/C10H8BrFN2S/c11-8-5-7(1-2-9(8)12)6-14-10-13-3-4-15-10/h1-5H,6H2,(H,13,14)
InChIKeyKZUIRQJKDDBSRB-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.66
Rot. Bonds3

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

N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 78982895) has the molecular formula C10H8BrFN2S and a molecular weight of 287.16 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID78982895
Molecular FormulaC10H8BrFN2S
Molecular Weight287.16 g/mol
Exact Mass285.96
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(CNc2nccs2)cc1Br
InChIInChI=1S/C10H8BrFN2S/c11-8-5-7(1-2-9(8)12)6-14-10-13-3-4-15-10/h1-5H,6H2,(H,13,14)
InChIKeyKZUIRQJKDDBSRB-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]-1,3-thiazol-2-amine
CID 4227429
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924514
N-[(3-bromofuran-2-yl)methyl]-1,3-thiazol-2-amine
CID 106885398
N-[2-(4-chlorophenyl)ethyl]-1,3-thiazol-2-amine
CID 60658715
2,6-dibromo-N-[(3-bromo-4-fluorophenyl)methyl]-4-methylaniline
CID 28984078
N-[(3-bromo-4-fluorophenyl)methyl]-6-fluoropyridin-2-amine
CID 113228051
N-[4-(benzylamino)-5-bromo-2-fluorophenyl]sulfanyl-1,3-thiazol-2-amine
CID 134601818
3-bromo-N-[(3,4-difluorophenyl)methyl]-4-fluoroaniline
CID 115650344
3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile
CID 63359664
N-[(3-bromo-4-fluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 62809903

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 78982895) is N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine is Fc1ccc(CNc2nccs2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is KZUIRQJKDDBSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2S/c11-8-5-7(1-2-9(8)12)6-14-10-13-3-4-15-10/h1-5H,6H2,(H,13,14).
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 287.16 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 78982895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).