4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole

C14H12BrN3S — CID 14742536

IUPAC4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C14H12BrN3S/c1-9-12(17-8-16-9)6-14-18-13(7-19-14)10-3-2-4-11(15)5-10/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyLEFLUMLLFZFRQC-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.19
Rot. Bonds3

About 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole

4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (PubChem CID 14742536) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
PubChem CID14742536
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
SMILESCc1[nH]cnc1Cc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C14H12BrN3S/c1-9-12(17-8-16-9)6-14-18-13(7-19-14)10-3-2-4-11(15)5-10/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyLEFLUMLLFZFRQC-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole (CID 14742536) is 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is Cc1[nH]cnc1Cc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
The InChIKey is LEFLUMLLFZFRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-9-12(17-8-16-9)6-14-18-13(7-19-14)10-3-2-4-11(15)5-10/h2-5,7-8H,6H2,1H3,(H,16,17).
What are the key properties of 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole?
4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole has a molecular weight of 334.24 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 14742536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).