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

C12H13BrN2OS — CID 60877933

IUPAC[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2ccc(Br)cc2CN)cs1
InChIInChI=1S/C12H13BrN2OS/c1-8-15-11(7-17-8)6-16-12-3-2-10(13)4-9(12)5-14/h2-4,7H,5-6,14H2,1H3
InChIKeyMLNKNADGPNNUNY-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.25
Rot. Bonds4

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

[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 60877933) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is [5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
PubChem CID60877933
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2ccc(Br)cc2CN)cs1
InChIInChI=1S/C12H13BrN2OS/c1-8-15-11(7-17-8)6-16-12-3-2-10(13)4-9(12)5-14/h2-4,7H,5-6,14H2,1H3
InChIKeyMLNKNADGPNNUNY-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60883305
1-[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 62370180
[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-nitrophenyl]methanamine
CID 60888826
[5-bromo-3-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 112619888
2-[5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54931526
4-bromo-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]aniline
CID 103009149
[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 107686349
[3-ethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 60880178
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 107098783
2-methyl-N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63327109
2-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanamine
CID 54930722
4-[(4-bromo-2-methylphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 63530798

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine (CID 60877933) is [5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is Cc1nc(COc2ccc(Br)cc2CN)cs1.
What is the InChIKey of [5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is MLNKNADGPNNUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-8-15-11(7-17-8)6-16-12-3-2-10(13)4-9(12)5-14/h2-4,7H,5-6,14H2,1H3.
What are the key properties of [5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine?
[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 313.22 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60877933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).