5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine

C10H7BrF2N2S — CID 16778530

IUPAC5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2c(F)cc(F)cc2Br)s1
InChIInChI=1S/C10H7BrF2N2S/c11-8-1-5(12)2-9(13)7(8)3-6-4-15-10(14)16-6/h1-2,4H,3H2,(H2,14,15)
InChIKeyPIYMTXQTZZJRRY-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.36
Rot. Bonds2

About 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine

5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 16778530) has the molecular formula C10H7BrF2N2S and a molecular weight of 305.15 g/mol. Its IUPAC name is 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID16778530
Molecular FormulaC10H7BrF2N2S
Molecular Weight305.15 g/mol
Exact Mass303.95
IUPAC Name5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2c(F)cc(F)cc2Br)s1
InChIInChI=1S/C10H7BrF2N2S/c11-8-1-5(12)2-9(13)7(8)3-6-4-15-10(14)16-6/h1-2,4H,3H2,(H2,14,15)
InChIKeyPIYMTXQTZZJRRY-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine (CID 16778530) is 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2c(F)cc(F)cc2Br)s1.
What is the InChIKey of 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is PIYMTXQTZZJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2S/c11-8-1-5(12)2-9(13)7(8)3-6-4-15-10(14)16-6/h1-2,4H,3H2,(H2,14,15).
What are the key properties of 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine?
5-[(2-bromo-4,6-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 5-[(2-bromo-4,6-difluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16778530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).