[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine

C10H7BrF2N2S — CID 116868261

IUPAC[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2cc(F)ccc2F)sc1Br
InChIInChI=1S/C10H7BrF2N2S/c11-9-8(4-14)15-10(16-9)6-3-5(12)1-2-7(6)13/h1-3H,4,14H2
InChIKeyTWDDJORNDYTARZ-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.31
Rot. Bonds2

About [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine

[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine (PubChem CID 116868261) has the molecular formula C10H7BrF2N2S and a molecular weight of 305.15 g/mol. Its IUPAC name is [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine
PubChem CID116868261
Molecular FormulaC10H7BrF2N2S
Molecular Weight305.15 g/mol
Exact Mass303.95
IUPAC Name[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2cc(F)ccc2F)sc1Br
InChIInChI=1S/C10H7BrF2N2S/c11-9-8(4-14)15-10(16-9)6-3-5(12)1-2-7(6)13/h1-3H,4,14H2
InChIKeyTWDDJORNDYTARZ-UHFFFAOYSA-N
XLogP3.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717494
[5-bromo-2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 116868274
[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 114895368
2-[5-bromo-2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]ethanamine
CID 116868367
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841371
[4-ethyl-2-(2-fluoro-5-methylphenyl)-1,3-thiazol-5-yl]methanamine
CID 107932019
2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360286
N-[[2-(2,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841708
2-amino-1-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]ethanol
CID 116890686
2-chloro-5-(2,5-difluorophenyl)-1,3,4-thiadiazole
CID 63385959
[2-(4-chloro-2-fluorophenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840990

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine (CID 116868261) is [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine is NCc1nc(-c2cc(F)ccc2F)sc1Br.
What is the InChIKey of [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is TWDDJORNDYTARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2S/c11-9-8(4-14)15-10(16-9)6-3-5(12)1-2-7(6)13/h1-3H,4,14H2.
What are the key properties of [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine?
[5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 305.15 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 116868261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).