4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole

C8H6Br2N2S2 — CID 638954

IUPAC4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole
SMILESBrCc1csc(-c2nc(CBr)cs2)n1
InChIInChI=1S/C8H6Br2N2S2/c9-1-5-3-13-7(11-5)8-12-6(2-10)4-14-8/h3-4H,1-2H2
InChIKeyAKELCLGZKLCTRR-UHFFFAOYSA-N
MW354.09 g/mol
LogP4.06
Rot. Bonds3

About 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole

4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole (PubChem CID 638954) has the molecular formula C8H6Br2N2S2 and a molecular weight of 354.09 g/mol. Its IUPAC name is 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole
PubChem CID638954
Molecular FormulaC8H6Br2N2S2
Molecular Weight354.09 g/mol
Exact Mass351.83
IUPAC Name4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole
SMILESBrCc1csc(-c2nc(CBr)cs2)n1
InChIInChI=1S/C8H6Br2N2S2/c9-1-5-3-13-7(11-5)8-12-6(2-10)4-14-8/h3-4H,1-2H2
InChIKeyAKELCLGZKLCTRR-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.09
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(Bromomethyl)-2-methyl-1,3-thiazole hydrobromide
CID 92043029
4-(Bromomethyl)-2-methyl-1,3-thiazole
CID 22121308
4,4Dimethyl-2,2bithiazolyl
CID 21779250
5-Bromo-2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole
CID 21779251
4-Ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 101000714
2-[4-(Bromomethyl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole
CID 85701265
4-[Bromo(dideuterio)methyl]-2-(trideuteriomethyl)-1,3-thiazole
CID 88993293
2,4-Bis(bromomethyl)-1,3-thiazole
CID 130153821
Bis(2,4-dimethyl-1,3-thiazole);methane
CID 157280280
Bis(2,4-dimethyl-1,3-thiazole);methane
CID 157413510
CID 159155726
CID 159155726
5-Bromo-2,4-dimethyl-1,3-thiazole;2,4-dimethyl-1,3-thiazole
CID 162221679

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole (CID 638954) is 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole is BrCc1csc(-c2nc(CBr)cs2)n1.
What is the InChIKey of 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole?
The InChIKey is AKELCLGZKLCTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2S2/c9-1-5-3-13-7(11-5)8-12-6(2-10)4-14-8/h3-4H,1-2H2.
What are the key properties of 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole?
4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole has a molecular weight of 354.09 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-[4-(bromomethyl)-1,3-thiazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 638954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).