5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide

C9H8Br2N2S — CID 2803007

IUPAC5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Nc1ncc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C9H7BrN2S.BrH/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;/h1-5H,(H2,11,12);1H
InChIKeyQBQQJBHHEXYVJL-UHFFFAOYSA-N
MW336.05 g/mol
LogP3.73
Rot. Bonds1

About 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide

5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 2803007) has the molecular formula C9H8Br2N2S and a molecular weight of 336.05 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID2803007
Molecular FormulaC9H8Br2N2S
Molecular Weight336.05 g/mol
Exact Mass333.88
IUPAC Name5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Nc1ncc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C9H7BrN2S.BrH/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;/h1-5H,(H2,11,12);1H
InChIKeyQBQQJBHHEXYVJL-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Benzyl-1,3-thiazol-2-amine
CID 691952
5-(4-Bromobenzyl)-1,3-thiazol-2-amine
CID 727750
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide (CID 2803007) is 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide is Br.Nc1ncc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is QBQQJBHHEXYVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S.BrH/c10-7-3-1-6(2-4-7)8-5-12-9(11)13-8;/h1-5H,(H2,11,12);1H.
What are the key properties of 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide?
5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 336.05 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 2803007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).