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

C10H9BrN2S — CID 727750

IUPAC5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChIKeyHGWLTZOMQZIUBW-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.08
Rot. Bonds2

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

5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 727750) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID727750
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(Br)cc2)s1
InChIInChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChIKeyHGWLTZOMQZIUBW-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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Related Compounds

5-Benzyl-1,3-thiazol-2-amine
CID 691952
5-methyl-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 935229
5-{[4-(Trifluoromethyl)phenyl]methyl}-1,3-thiazol-2-amine
CID 16228111
5-Phenyl-thiazol-2-ylamine
CID 873119
5-benzyl-N-methyl-1,3-thiazol-2-amine
CID 1229694
1-[5-(4-Bromophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907662
2-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 897540
5-((3-Methylphenyl)methyl)-1,3-thiazol-2-amine
CID 708605
5-[(4-Methylphenyl)methyl]-1,3-thiazol-2-amine
CID 732249
4-[(2-Amino-1,3-thiazol-5-yl)methyl]benzonitrile
CID 16769502
5-[(2-Methylphenyl)methyl]-1,3-thiazol-2-amine
CID 16770159
3-[(2-Amino-1,3-Thiazol-5-Yl)Methyl]Benzonitrile
CID 16778523

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine (CID 727750) is 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2ccc(Br)cc2)s1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HGWLTZOMQZIUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13).
What are the key properties of 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine?
5-[(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 5-[(4-bromophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 727750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).