N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide

C11H14Br2N2S — CID 127037033

IUPACN-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide
SMILESBr.BrCC1CN=C(NCc2ccccc2)S1
InChIInChI=1S/C11H13BrN2S.BrH/c12-6-10-8-14-11(15-10)13-7-9-4-2-1-3-5-9;/h1-5,10H,6-8H2,(H,13,14);1H
InChIKeyVIIFIDASFDEDJI-UHFFFAOYSA-N
MW366.12 g/mol
LogP3.22
Rot. Bonds3

About N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide

N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide (PubChem CID 127037033) has the molecular formula C11H14Br2N2S and a molecular weight of 366.12 g/mol. Its IUPAC name is N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound NameN-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide
PubChem CID127037033
Molecular FormulaC11H14Br2N2S
Molecular Weight366.12 g/mol
Exact Mass363.92
IUPAC NameN-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide
SMILESBr.BrCC1CN=C(NCc2ccccc2)S1
InChIInChI=1S/C11H13BrN2S.BrH/c12-6-10-8-14-11(15-10)13-7-9-4-2-1-3-5-9;/h1-5,10H,6-8H2,(H,13,14);1H
InChIKeyVIIFIDASFDEDJI-UHFFFAOYSA-N
XLogP3.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.12
LogP ≤ 53.22
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 N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide (CID 127037033) is N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide is Br.BrCC1CN=C(NCc2ccccc2)S1.
What is the InChIKey of N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is VIIFIDASFDEDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S.BrH/c12-6-10-8-14-11(15-10)13-7-9-4-2-1-3-5-9;/h1-5,10H,6-8H2,(H,13,14);1H.
What are the key properties of N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide?
N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 366.12 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 127037033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).