1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine

C7H11BrN2OS — CID 83693258

IUPAC1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCOCc1sc(C(C)N)nc1Br
InChIInChI=1S/C7H11BrN2OS/c1-4(9)7-10-6(8)5(12-7)3-11-2/h4H,3,9H2,1-2H3
InChIKeyBSYIRXXQNHBPJW-UHFFFAOYSA-N
MW251.15 g/mol
LogP2.07
Rot. Bonds3

About 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine

1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 83693258) has the molecular formula C7H11BrN2OS and a molecular weight of 251.15 g/mol. Its IUPAC name is 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID83693258
Molecular FormulaC7H11BrN2OS
Molecular Weight251.15 g/mol
Exact Mass249.98
IUPAC Name1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCOCc1sc(C(C)N)nc1Br
InChIInChI=1S/C7H11BrN2OS/c1-4(9)7-10-6(8)5(12-7)3-11-2/h4H,3,9H2,1-2H3
InChIKeyBSYIRXXQNHBPJW-UHFFFAOYSA-N
XLogP2.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-bromo-5-(2-methylpropyl)-1,3-thiazol-2-yl]ethanamine
CID 83693661
3-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 83693736
1-(4-bromo-5-tert-butyl-1,3-thiazol-2-yl)ethanamine
CID 83693671
(1S)-1-(5-ethyl-4-methyl-1,3-thiazol-2-yl)ethanamine
CID 82668357
1-[2,4-bis(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441413
[4-(methoxymethyl)-2-(1-methylsulfonylethyl)-1,3-thiazol-5-yl]methanamine
CID 114361701
1-(2,4-dibromo-1,3-thiazol-5-yl)ethanamine
CID 130090847
[2-(1-ethoxyethyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 114361772
(1S)-1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 82379127
1-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 84641537
5-(methoxymethyl)-2,4-dimethyl-1,3-thiazole
CID 58826708
1-[2-[(dimethylamino)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
CID 82441447

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine (CID 83693258) is 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine is COCc1sc(C(C)N)nc1Br.
What is the InChIKey of 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is BSYIRXXQNHBPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2OS/c1-4(9)7-10-6(8)5(12-7)3-11-2/h4H,3,9H2,1-2H3.
What are the key properties of 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 251.15 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-5-(methoxymethyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 83693258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).