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

C13H15BrN2OS — CID 112619888

IUPAC[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2c(C)cc(Br)cc2CN)cs1
InChIInChI=1S/C13H15BrN2OS/c1-8-3-11(14)4-10(5-15)13(8)17-6-12-7-18-9(2)16-12/h3-4,7H,5-6,15H2,1-2H3
InChIKeyGSDICYGPAODNBU-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.56
Rot. Bonds4

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

[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 112619888) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is [5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID112619888
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2c(C)cc(Br)cc2CN)cs1
InChIInChI=1S/C13H15BrN2OS/c1-8-3-11(14)4-10(5-15)13(8)17-6-12-7-18-9(2)16-12/h3-4,7H,5-6,15H2,1-2H3
InChIKeyGSDICYGPAODNBU-UHFFFAOYSA-N
XLogP3.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methylphenyl]methanamine
CID 112619709
[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60877933
(E)-3-[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 115962473
[5-bromo-3-methyl-2-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112619895
2-[5-bromo-3-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanamine
CID 112621531
(5-bromo-2-hexoxy-3-methylphenyl)methanamine
CID 112619692
[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619743
[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methylphenyl]methanamine
CID 112619707
[5-bromo-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-methylphenyl]methanamine
CID 112619754
[5-bromo-2-(2-ethylsulfonylethoxy)-3-methylphenyl]methanamine
CID 112619878
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 107098783
[5-bromo-3-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 115960864

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 112619888) is [5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is Cc1nc(COc2c(C)cc(Br)cc2CN)cs1.
What is the InChIKey of [5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is GSDICYGPAODNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c1-8-3-11(14)4-10(5-15)13(8)17-6-12-7-18-9(2)16-12/h3-4,7H,5-6,15H2,1-2H3.
What are the key properties of [5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 327.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112619888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).