4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole

C8H8BrN3S — CID 79738925

IUPAC4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole
SMILESCn1ccnc1Cc1nc(Br)cs1
InChIInChI=1S/C8H8BrN3S/c1-12-3-2-10-7(12)4-8-11-6(9)5-13-8/h2-3,5H,4H2,1H3
InChIKeyQVGXSUNALKBDMU-UHFFFAOYSA-N
MW258.14 g/mol
LogP2.23
Rot. Bonds2

About 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole

4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole (PubChem CID 79738925) has the molecular formula C8H8BrN3S and a molecular weight of 258.14 g/mol. Its IUPAC name is 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole
PubChem CID79738925
Molecular FormulaC8H8BrN3S
Molecular Weight258.14 g/mol
Exact Mass256.96
IUPAC Name4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole
SMILESCn1ccnc1Cc1nc(Br)cs1
InChIInChI=1S/C8H8BrN3S/c1-12-3-2-10-7(12)4-8-11-6(9)5-13-8/h2-3,5H,4H2,1H3
InChIKeyQVGXSUNALKBDMU-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.14
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-[(1-methylimidazol-2-yl)methyl]pyridine
CID 79738834
4-bromo-2-[(1-methylbenzimidazol-2-yl)methyl]-1,3-thiazole
CID 79754486
2-[(3-bromo-4-chlorophenyl)methyl]-1-methylimidazole
CID 82561964
4-chloro-5-[(1-methylimidazol-2-yl)methyl]pyrimidine
CID 105371332
1-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533295
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
1-(4-bromothiophen-2-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79752976
2,5-bis[(1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 52662332
2-(2-aminoethyl)-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 66390133
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63294452
2-(fluoromethyl)-1-methylimidazole
CID 11679811
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole (CID 79738925) is 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole is Cn1ccnc1Cc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole?
The InChIKey is QVGXSUNALKBDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S/c1-12-3-2-10-7(12)4-8-11-6(9)5-13-8/h2-3,5H,4H2,1H3.
What are the key properties of 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole?
4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole has a molecular weight of 258.14 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 79738925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).