5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine

C7H7Br2N3S2 — CID 159266066

IUPAC5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine
SMILESCc1ncc(Br)s1.Nc1ncc(Br)s1
InChIInChI=1S/C4H4BrNS.C3H3BrN2S/c1-3-6-2-4(5)7-3;4-2-1-6-3(5)7-2/h2H,1H3;1H,(H2,5,6)
InChIKeyKXCRNGFYXRBTIZ-UHFFFAOYSA-N
MW357.10 g/mol
LogP3.70
Rot. Bonds

About 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine

5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine (PubChem CID 159266066) has the molecular formula C7H7Br2N3S2 and a molecular weight of 357.10 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine
PubChem CID159266066
Molecular FormulaC7H7Br2N3S2
Molecular Weight357.10 g/mol
Exact Mass354.84
IUPAC Name5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine
SMILESCc1ncc(Br)s1.Nc1ncc(Br)s1
InChIInChI=1S/C4H4BrNS.C3H3BrN2S/c1-3-6-2-4(5)7-3;4-2-1-6-3(5)7-2/h2H,1H3;1H,(H2,5,6)
InChIKeyKXCRNGFYXRBTIZ-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.10
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(113C)methyl-1,3-thiazol-5-amine
CID 132647797
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
5-(bromomethyl)-2-methyl-1,3-thiazole
CID 55250786
5-N-methyl-1,3-thiazole-2,5-diamine
CID 142305801
5-[(3-bromo-5-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 107577220
ethane;5-propan-2-yl-1,3-thiazol-2-amine
CID 178111483
5-bromo-1,3-thiazole-2-carbaldehyde;methane
CID 144718111
(2-amino-1,3-thiazol-5-yl)-methoxyazanium
CID 145259993
5-bromo-1,3-thiazol-2-amine;methyl 5-[(2-amino-1,3-thiazol-5-yl)oxy]-2-fluorobenzoate
CID 158776626
5-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 82275190
5-[(3-bromo-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 63334948
5-bromo-2-(2-fluoropropan-2-yl)-1,3-thiazole
CID 84789579

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine (CID 159266066) is 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine is Cc1ncc(Br)s1.Nc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine?
The InChIKey is KXCRNGFYXRBTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNS.C3H3BrN2S/c1-3-6-2-4(5)7-3;4-2-1-6-3(5)7-2/h2H,1H3;1H,(H2,5,6).
What are the key properties of 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine?
5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine has a molecular weight of 357.10 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1,3-thiazole;5-bromo-1,3-thiazol-2-amine is sourced from PubChem (CID 159266066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).