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

C11H10BrFN2S — CID 82800650

IUPAC[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(F)c(Br)c2)sc1CN
InChIInChI=1S/C11H10BrFN2S/c1-6-10(5-14)16-11(15-6)7-2-3-9(13)8(12)4-7/h2-4H,5,14H2,1H3
InChIKeyIFUMUZYVZAAFBE-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.48
Rot. Bonds2

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

[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 82800650) has the molecular formula C11H10BrFN2S and a molecular weight of 301.18 g/mol. Its IUPAC name is [2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID82800650
Molecular FormulaC11H10BrFN2S
Molecular Weight301.18 g/mol
Exact Mass299.97
IUPAC Name[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2ccc(F)c(Br)c2)sc1CN
InChIInChI=1S/C11H10BrFN2S/c1-6-10(5-14)16-11(15-6)7-2-3-9(13)8(12)4-7/h2-4H,5,14H2,1H3
InChIKeyIFUMUZYVZAAFBE-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 82800650) is [2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine is Cc1nc(-c2ccc(F)c(Br)c2)sc1CN.
What is the InChIKey of [2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is IFUMUZYVZAAFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2S/c1-6-10(5-14)16-11(15-6)7-2-3-9(13)8(12)4-7/h2-4H,5,14H2,1H3.
What are the key properties of [2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 301.18 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82800650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).