4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine

C10H7BrF2N2S — CID 90961394

IUPAC4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2cc(F)c(F)cc2Br)cs1
InChIInChI=1S/C10H7BrF2N2S/c11-7-3-9(13)8(12)2-5(7)1-6-4-16-10(14)15-6/h2-4H,1H2,(H2,14,15)
InChIKeyHNXFVAZNYGHVSL-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.36
Rot. Bonds2

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

4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 90961394) has the molecular formula C10H7BrF2N2S and a molecular weight of 305.15 g/mol. Its IUPAC name is 4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID90961394
Molecular FormulaC10H7BrF2N2S
Molecular Weight305.15 g/mol
Exact Mass303.95
IUPAC Name4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2cc(F)c(F)cc2Br)cs1
InChIInChI=1S/C10H7BrF2N2S/c11-7-3-9(13)8(12)2-5(7)1-6-4-16-10(14)15-6/h2-4H,1H2,(H2,14,15)
InChIKeyHNXFVAZNYGHVSL-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine (CID 90961394) is 4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2cc(F)c(F)cc2Br)cs1.
What is the InChIKey of 4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HNXFVAZNYGHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2S/c11-7-3-9(13)8(12)2-5(7)1-6-4-16-10(14)15-6/h2-4H,1H2,(H2,14,15).
What are the key properties of 4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine?
4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 305.15 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4,5-difluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90961394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).