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

C10H9BrN2S — CID 43260411

IUPAC4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-14-10(12)13-9/h1-4,6H,5H2,(H2,12,13)
InChIKeyKNYDEZFRFTWUTE-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.08
Rot. Bonds2

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

4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 43260411) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID43260411
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2ccc(Br)cc2)cs1
InChIInChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-14-10(12)13-9/h1-4,6H,5H2,(H2,12,13)
InChIKeyKNYDEZFRFTWUTE-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine (CID 43260411) is 4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2ccc(Br)cc2)cs1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is KNYDEZFRFTWUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-14-10(12)13-9/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine?
4-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 269.17 g/mol, XLogP of 3.08, 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]-1,3-thiazol-2-amine is sourced from PubChem (CID 43260411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).