4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine

C10H8BrFN2S — CID 62082559

IUPAC4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine
SMILESCc1nc(-c2ccc(Br)cc2F)c(N)s1
InChIInChI=1S/C10H8BrFN2S/c1-5-14-9(10(13)15-5)7-3-2-6(11)4-8(7)12/h2-4H,13H2,1H3
InChIKeyDUFLLTWDDCZVNH-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.60
Rot. Bonds1

About 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine

4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine (PubChem CID 62082559) has the molecular formula C10H8BrFN2S and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine
PubChem CID62082559
Molecular FormulaC10H8BrFN2S
Molecular Weight287.16 g/mol
Exact Mass285.96
IUPAC Name4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine
SMILESCc1nc(-c2ccc(Br)cc2F)c(N)s1
InChIInChI=1S/C10H8BrFN2S/c1-5-14-9(10(13)15-5)7-3-2-6(11)4-8(7)12/h2-4H,13H2,1H3
InChIKeyDUFLLTWDDCZVNH-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine (CID 62082559) is 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine is Cc1nc(-c2ccc(Br)cc2F)c(N)s1.
What is the InChIKey of 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine?
The InChIKey is DUFLLTWDDCZVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2S/c1-5-14-9(10(13)15-5)7-3-2-6(11)4-8(7)12/h2-4H,13H2,1H3.
What are the key properties of 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine?
4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine has a molecular weight of 287.16 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-fluorophenyl)-2-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62082559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).