(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine

C12H12BrFN2S — CID 81436366

IUPAC(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Br)c(F)c2)sc1C
InChIInChI=1S/C12H12BrFN2S/c1-6-7(2)17-12(16-6)11(15)8-3-4-9(13)10(14)5-8/h3-5,11H,15H2,1-2H3
InChIKeyWXBVPNWTOFVYHV-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.71
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine

(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine (PubChem CID 81436366) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
PubChem CID81436366
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
SMILESCc1nc(C(N)c2ccc(Br)c(F)c2)sc1C
InChIInChI=1S/C12H12BrFN2S/c1-6-7(2)17-12(16-6)11(15)8-3-4-9(13)10(14)5-8/h3-5,11H,15H2,1-2H3
InChIKeyWXBVPNWTOFVYHV-UHFFFAOYSA-N
XLogP3.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 81437309
[4-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 113328487
(4-bromo-3-fluorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 81437623
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 105027240
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458
(S)-(4-bromo-3-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171201796
(5-bromoquinolin-8-yl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 115959866
1-[2-(4-bromo-3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 81440491
(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 102827103
(4-bromo-3-fluorophenyl)-(3-chlorothiophen-2-yl)methanamine
CID 80529738
1-(4-bromo-3-chlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019849

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine (CID 81436366) is (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine is Cc1nc(C(N)c2ccc(Br)c(F)c2)sc1C.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is WXBVPNWTOFVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-6-7(2)17-12(16-6)11(15)8-3-4-9(13)10(14)5-8/h3-5,11H,15H2,1-2H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine?
(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 315.21 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 81436366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).