1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine

C12H14BrN3OS — CID 155236368

IUPAC1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1ncc(Br)s1
InChIInChI=1S/C12H14BrN3OS/c1-8-4-3-5-10(16(2)14)9(8)7-17-12-15-6-11(13)18-12/h3-6H,7,14H2,1-2H3
InChIKeyXXJISVRFRVIFJA-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.10
Rot. Bonds4

About 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine

1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine (PubChem CID 155236368) has the molecular formula C12H14BrN3OS and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine
PubChem CID155236368
Molecular FormulaC12H14BrN3OS
Molecular Weight328.24 g/mol
Exact Mass327.00
IUPAC Name1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cccc(N(C)N)c1COc1ncc(Br)s1
InChIInChI=1S/C12H14BrN3OS/c1-8-4-3-5-10(16(2)14)9(8)7-17-12-15-6-11(13)18-12/h3-6H,7,14H2,1-2H3
InChIKeyXXJISVRFRVIFJA-UHFFFAOYSA-N
XLogP3.10
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine (CID 155236368) is 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine is Cc1cccc(N(C)N)c1COc1ncc(Br)s1.
What is the InChIKey of 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine?
The InChIKey is XXJISVRFRVIFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3OS/c1-8-4-3-5-10(16(2)14)9(8)7-17-12-15-6-11(13)18-12/h3-6H,7,14H2,1-2H3.
What are the key properties of 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine?
1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine has a molecular weight of 328.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine is sourced from PubChem (CID 155236368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).