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

C10H9BrCl2N2S — CID 3116468

IUPAC5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccc(Cl)c(NC2=NCC(CBr)S2)c1
InChIInChI=1S/C10H9BrCl2N2S/c11-4-7-5-14-10(16-7)15-9-3-6(12)1-2-8(9)13/h1-3,7H,4-5H2,(H,14,15)
InChIKeyHOGUNOVSEYWCSR-UHFFFAOYSA-N
MW340.07 g/mol
LogP4.27
Rot. Bonds2

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

5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3116468) has the molecular formula C10H9BrCl2N2S and a molecular weight of 340.07 g/mol. Its IUPAC name is 5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3116468
Molecular FormulaC10H9BrCl2N2S
Molecular Weight340.07 g/mol
Exact Mass337.90
IUPAC Name5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESClc1ccc(Cl)c(NC2=NCC(CBr)S2)c1
InChIInChI=1S/C10H9BrCl2N2S/c11-4-7-5-14-10(16-7)15-9-3-6(12)1-2-8(9)13/h1-3,7H,4-5H2,(H,14,15)
InChIKeyHOGUNOVSEYWCSR-UHFFFAOYSA-N
XLogP4.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.07
LogP ≤ 54.27
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-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 3116468) is 5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is Clc1ccc(Cl)c(NC2=NCC(CBr)S2)c1.
What is the InChIKey of 5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is HOGUNOVSEYWCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrCl2N2S/c11-4-7-5-14-10(16-7)15-9-3-6(12)1-2-8(9)13/h1-3,7H,4-5H2,(H,14,15).
What are the key properties of 5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine?
5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 340.07 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-N-(2,5-dichlorophenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3116468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).