[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine

C11H11BrN2S — CID 82054774

IUPAC[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(Cc2cccc(Br)c2)s1
InChIInChI=1S/C11H11BrN2S/c12-9-3-1-2-8(4-9)5-10-7-14-11(6-13)15-10/h1-4,7H,5-6,13H2
InChIKeyHQUSVCHLOLHUHP-UHFFFAOYSA-N
MW283.19 g/mol
LogP2.96
Rot. Bonds3

About [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine

[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 82054774) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
PubChem CID82054774
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(Cc2cccc(Br)c2)s1
InChIInChI=1S/C11H11BrN2S/c12-9-3-1-2-8(4-9)5-10-7-14-11(6-13)15-10/h1-4,7H,5-6,13H2
InChIKeyHQUSVCHLOLHUHP-UHFFFAOYSA-N
XLogP2.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-bromophenyl)methyl]-2-chloro-1,3-thiazole
CID 138571512
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]methanamine
CID 82054476
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552
[2-[(3-bromophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
CID 66159246
(3-bromophenyl)methanamine;hydroiodide
CID 175169219
2-[(3-bromophenyl)methyl]-5-methylthiophene
CID 23103385
2-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 94721332
4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590420
3-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119752437
[2-[(3-bromophenyl)methyl]-4-tert-butyl-1,3-thiazol-5-yl]methanamine
CID 114361104
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
[5-(4-bromophenyl)-1,3-thiazol-2-yl]methanamine
CID 83851616

Frequently Asked Questions

What is the IUPAC name of [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine (CID 82054774) is [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine is NCc1ncc(Cc2cccc(Br)c2)s1.
What is the InChIKey of [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is HQUSVCHLOLHUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c12-9-3-1-2-8(4-9)5-10-7-14-11(6-13)15-10/h1-4,7H,5-6,13H2.
What are the key properties of [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine?
[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 283.19 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82054774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).