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

C12H12BrFN2S — CID 55154443

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H12BrFN2S/c1-2-10-7-17-12(16-10)15-6-8-5-9(14)3-4-11(8)13/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeyGJYPVRPPIQKOEF-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.22
Rot. Bonds4

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

N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 55154443) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID55154443
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2cc(F)ccc2Br)n1
InChIInChI=1S/C12H12BrFN2S/c1-2-10-7-17-12(16-10)15-6-8-5-9(14)3-4-11(8)13/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeyGJYPVRPPIQKOEF-UHFFFAOYSA-N
XLogP4.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66281183
2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576016
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
N-[(2-bromo-5-fluorophenyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 115354999
N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271474
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913562
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
3-[2-[(2,4-difluorophenyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487284
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
2-[2-[(2-bromophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575894
N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine
CID 65473524

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine (CID 55154443) is N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NCc2cc(F)ccc2Br)n1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is GJYPVRPPIQKOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-2-10-7-17-12(16-10)15-6-8-5-9(14)3-4-11(8)13/h3-5,7H,2,6H2,1H3,(H,15,16).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 315.21 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55154443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).