4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C10H11BrN2S — CID 54492878

IUPAC4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(Cc2ccc(Br)cc2)CS1
InChIInChI=1S/C10H11BrN2S/c11-8-3-1-7(2-4-8)5-9-6-14-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)
InChIKeyXWZYODCIIITKOS-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.42
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 54492878) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID54492878
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC Name4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESNC1=NC(Cc2ccc(Br)cc2)CS1
InChIInChI=1S/C10H11BrN2S/c11-8-3-1-7(2-4-8)5-9-6-14-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13)
InChIKeyXWZYODCIIITKOS-UHFFFAOYSA-N
XLogP2.42
TPSA38.38 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 54492878) is 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is NC1=NC(Cc2ccc(Br)cc2)CS1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is XWZYODCIIITKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c11-8-3-1-7(2-4-8)5-9-6-14-10(12)13-9/h1-4,9H,5-6H2,(H2,12,13).
What are the key properties of 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 271.18 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 54492878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).