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

C10H11BrN2S — CID 3055292

IUPACN-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrc1ccc(CNC2=NCCS2)cc1
InChIInChI=1S/C10H11BrN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)
InChIKeyWQZBFPFJYHBVHE-UHFFFAOYSA-N
MW271.18 g/mol
LogP2.64
Rot. Bonds2

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

N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 3055292) has the molecular formula C10H11BrN2S and a molecular weight of 271.18 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID3055292
Molecular FormulaC10H11BrN2S
Molecular Weight271.18 g/mol
Exact Mass269.98
IUPAC NameN-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrc1ccc(CNC2=NCCS2)cc1
InChIInChI=1S/C10H11BrN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)
InChIKeyWQZBFPFJYHBVHE-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 3055292) is N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Brc1ccc(CNC2=NCCS2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is WQZBFPFJYHBVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2S/c11-9-3-1-8(2-4-9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13).
What are the key properties of N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 271.18 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 3055292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).