5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C10H11BrN2S — CID 3119343

IUPAC5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrCC1CN=C(Nc2ccccc2)S1
InChIInChI=1S/C10H11BrN2S/c11-6-9-7-12-10(14-9)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKeyLTSYSLLVQJSRTF-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.96
Rot. Bonds2

About 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine

5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3119343) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3119343
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrCC1CN=C(Nc2ccccc2)S1
InChIInChI=1S/C10H11BrN2S/c11-6-9-7-12-10(14-9)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKeyLTSYSLLVQJSRTF-UHFFFAOYSA-N
XLogP2.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.18
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 3119343) is 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine is BrCC1CN=C(Nc2ccccc2)S1.
What is the InChIKey of 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is LTSYSLLVQJSRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c11-6-9-7-12-10(14-9)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13).
What are the key properties of 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 271.18 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3119343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).