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

C10H10BrFN2S — CID 50913562

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccc(Br)c(CNC2=NCCS2)c1
InChIInChI=1S/C10H10BrFN2S/c11-9-2-1-8(12)5-7(9)6-14-10-13-3-4-15-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyBBPWJFCOVBGKTO-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.78
Rot. Bonds2

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

N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 50913562) has the molecular formula C10H10BrFN2S and a molecular weight of 289.17 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID50913562
Molecular FormulaC10H10BrFN2S
Molecular Weight289.17 g/mol
Exact Mass287.97
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1ccc(Br)c(CNC2=NCCS2)c1
InChIInChI=1S/C10H10BrFN2S/c11-9-2-1-8(12)5-7(9)6-14-10-13-3-4-15-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyBBPWJFCOVBGKTO-UHFFFAOYSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromo-2-fluoro-5-methylphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 50913703
N-[(2-bromo-5-fluorophenyl)methyl]-2,3,4-trifluoroaniline
CID 28574347
5-N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66281183
N-[(2-bromo-5-fluorophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65271474
N-[(2-bromo-5-fluorophenyl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 55154443
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine
CID 113452010
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine
CID 65473524
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
N-[(2-bromo-5-fluorophenyl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 115354999

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 50913562) is N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Fc1ccc(Br)c(CNC2=NCCS2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BBPWJFCOVBGKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2S/c11-9-2-1-8(12)5-7(9)6-14-10-13-3-4-15-10/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 289.17 g/mol, XLogP of 2.78, 2 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]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 50913562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).