4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine

C7H7BrN2S — CID 145443882

IUPAC4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine
SMILESC=Cc1sc(N)nc1C(=C)Br
InChIInChI=1S/C7H7BrN2S/c1-3-5-6(4(2)8)10-7(9)11-5/h3H,1-2H2,(H2,9,10)
InChIKeyLLABOUFMEVSOHI-UHFFFAOYSA-N
MW231.12 g/mol
LogP2.73
Rot. Bonds2

About 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine

4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine (PubChem CID 145443882) has the molecular formula C7H7BrN2S and a molecular weight of 231.12 g/mol. Its IUPAC name is 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine
PubChem CID145443882
Molecular FormulaC7H7BrN2S
Molecular Weight231.12 g/mol
Exact Mass229.95
IUPAC Name4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine
SMILESC=Cc1sc(N)nc1C(=C)Br
InChIInChI=1S/C7H7BrN2S/c1-3-5-6(4(2)8)10-7(9)11-5/h3H,1-2H2,(H2,9,10)
InChIKeyLLABOUFMEVSOHI-UHFFFAOYSA-N
XLogP2.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;5-ethenyl-4-methyl-1,3-thiazol-2-amine
CID 177047215
5-ethenyl-4-[(3Z)-5-methyl-5-propylocta-1,3-dien-4-yl]-1,3-thiazol-2-amine
CID 170140043
2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-oxoacetic acid
CID 87641481
4-(1-bromoethenyl)-2,6-dichloro-5-ethenylpyrimidine
CID 144797258
4,5-bis(ethenyl)thiophen-2-amine
CID 142930425
2-(2-amino-5-bromo-1,3-thiazol-4-yl)-2-hydroxyiminoacetamide
CID 57303254
2-(1-bromoethenyl)-3-ethenyl-6-(3-methylbutan-2-yl)pyridine
CID 144941249
5-ethenyl-2-methyl-4-prop-1-en-2-yl-1,3-oxazole
CID 143414538
4,5-dimethylidene-1,3-thiazol-2-amine
CID 91550098
2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 86661298
N'-[(1Z)-1-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-methylbuta-1,3-dienyl]-2,2-dimethylpropanimidamide
CID 89091364
2-amino-5-(4-bromo-3-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 106510033

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine (CID 145443882) is 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine is C=Cc1sc(N)nc1C(=C)Br.
What is the InChIKey of 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine?
The InChIKey is LLABOUFMEVSOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2S/c1-3-5-6(4(2)8)10-7(9)11-5/h3H,1-2H2,(H2,9,10).
What are the key properties of 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine?
4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine has a molecular weight of 231.12 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethenyl)-5-ethenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 145443882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).