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

C11H10BrFN2S — CID 43559024

IUPAC(3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(F)c(Br)c2)s1
InChIInChI=1S/C11H10BrFN2S/c1-6-5-15-11(16-6)10(14)7-2-3-9(13)8(12)4-7/h2-5,10H,14H2,1H3
InChIKeyJKKZMWAMENGSSI-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.40
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 43559024) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID43559024
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name(3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(F)c(Br)c2)s1
InChIInChI=1S/C11H10BrFN2S/c1-6-5-15-11(16-6)10(14)7-2-3-9(13)8(12)4-7/h2-5,10H,14H2,1H3
InChIKeyJKKZMWAMENGSSI-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 43559024) is (3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is Cc1cnc(C(N)c2ccc(F)c(Br)c2)s1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is JKKZMWAMENGSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-6-5-15-11(16-6)10(14)7-2-3-9(13)8(12)4-7/h2-5,10H,14H2,1H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine?
(3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 301.18 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 43559024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).