(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine

C10H9BrN2S — CID 133060775

IUPAC(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
SMILESNCc1nc(Br)sc1-c1ccccc1
InChIInChI=1S/C10H9BrN2S/c11-10-13-8(6-12)9(14-10)7-4-2-1-3-5-7/h1-5H,6,12H2
InChIKeyZEOBMMPRWFHEMP-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.03
Rot. Bonds2

About (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine

(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine (PubChem CID 133060775) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
PubChem CID133060775
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine
SMILESNCc1nc(Br)sc1-c1ccccc1
InChIInChI=1S/C10H9BrN2S/c11-10-13-8(6-12)9(14-10)7-4-2-1-3-5-7/h1-5H,6,12H2
InChIKeyZEOBMMPRWFHEMP-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64718144
[2-(3-bromo-4-chlorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 115568396
[2-(5-bromo-2-fluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 114895368
(2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine
CID 64715397
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717924
[2-(5-fluoro-2-pyridinyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 79718586
[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717494
[5-phenyl-2-(thiophen-2-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 64717497
[2-[(4-fluorophenyl)methyl]-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716657
[2-(3-methoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 65093679
4-benzyl-2,5-diphenyl-1,3-thiazole
CID 46862429

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine (CID 133060775) is (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine is NCc1nc(Br)sc1-c1ccccc1.
What is the InChIKey of (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is ZEOBMMPRWFHEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c11-10-13-8(6-12)9(14-10)7-4-2-1-3-5-7/h1-5H,6,12H2.
What are the key properties of (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine?
(2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 269.17 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-phenyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 133060775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).