5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole

C13H12BrNS — CID 169260165

IUPAC5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole
SMILESCc1nc(/C=C/Cc2ccccc2)sc1Br
InChIInChI=1S/C13H12BrNS/c1-10-13(14)16-12(15-10)9-5-8-11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+
InChIKeyJIJBFBMDEYQAPC-WEVVVXLNSA-N
MW294.22 g/mol
LogP4.47
Rot. Bonds3

About 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole

5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole (PubChem CID 169260165) has the molecular formula C13H12BrNS and a molecular weight of 294.22 g/mol. Its IUPAC name is 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole
PubChem CID169260165
Molecular FormulaC13H12BrNS
Molecular Weight294.22 g/mol
Exact Mass292.99
IUPAC Name5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole
SMILESCc1nc(/C=C/Cc2ccccc2)sc1Br
InChIInChI=1S/C13H12BrNS/c1-10-13(14)16-12(15-10)9-5-8-11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+
InChIKeyJIJBFBMDEYQAPC-WEVVVXLNSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[4-[(E)-3-phenylprop-1-enyl]phenyl]benzene
CID 144681083
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
3-methylsulfanylprop-2-enylbenzene
CID 70387625
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
CID 89281237
CID 89281237
(2,4-dimethyl-1,3-thiazol-5-yl)-phenyldiazene
CID 14222602
1-tert-butyl-4-(3-phenylprop-1-enyl)benzene
CID 71390379
6-phenylhexa-2,4-dienylbenzene;titanium
CID 161467723
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939
triethyl(3-phenylprop-1-enoxy)silane
CID 612932
N,N-dimethyl-4-[(E)-3-phenylprop-1-enyl]aniline
CID 10728588
but-2-enylbenzene;prop-1-ene
CID 159250462

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole?
The IUPAC name of 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole (CID 169260165) is 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole?
The canonical SMILES for 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole is Cc1nc(/C=C/Cc2ccccc2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole?
The InChIKey is JIJBFBMDEYQAPC-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H12BrNS/c1-10-13(14)16-12(15-10)9-5-8-11-6-3-2-4-7-11/h2-7,9H,8H2,1H3/b9-5+.
What are the key properties of 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole?
5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole has a molecular weight of 294.22 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-2-[(E)-3-phenylprop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 169260165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).