4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole

C6H4Br2N4S — CID 71979618

IUPAC4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole
SMILESBrc1nc(Br)n(Cc2cscn2)n1
InChIInChI=1S/C6H4Br2N4S/c7-5-10-6(8)12(11-5)1-4-2-13-3-9-4/h2-3H,1H2
InChIKeyNBHPAFIGXMWKSN-UHFFFAOYSA-N
MW324.00 g/mol
LogP2.31
Rot. Bonds2

About 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole

4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole (PubChem CID 71979618) has the molecular formula C6H4Br2N4S and a molecular weight of 324.00 g/mol. Its IUPAC name is 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole
PubChem CID71979618
Molecular FormulaC6H4Br2N4S
Molecular Weight324.00 g/mol
Exact Mass321.85
IUPAC Name4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole
SMILESBrc1nc(Br)n(Cc2cscn2)n1
InChIInChI=1S/C6H4Br2N4S/c7-5-10-6(8)12(11-5)1-4-2-13-3-9-4/h2-3H,1H2
InChIKeyNBHPAFIGXMWKSN-UHFFFAOYSA-N
XLogP2.31
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.00
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thiazolo[3,2-b][1,2,4]triazol-6-ylmethanamine
CID 49657955
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 50954365
1-(4-isopropyl-4H-1,2,4-triazol-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 77087286
4-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 126842212
N-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazol-2-amine
CID 13241938
4-(Tetrazol-1-ylmethyl)-1,3-thiazole
CID 19771046
4-Methyl-2-(1,2,4-triazol-1-yl)-1,3-thiazole
CID 22887955
2-Methyl-4-(tetrazol-1-ylmethyl)-1,3-thiazole
CID 126625840
4-Methyl-2-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 178682949
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 29867705
1-[(2-Propyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 33347409
1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,2,4-triazole-3-carbonitrile
CID 35104060

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole (CID 71979618) is 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole is Brc1nc(Br)n(Cc2cscn2)n1.
What is the InChIKey of 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole?
The InChIKey is NBHPAFIGXMWKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Br2N4S/c7-5-10-6(8)12(11-5)1-4-2-13-3-9-4/h2-3H,1H2.
What are the key properties of 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole?
4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole has a molecular weight of 324.00 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dibromo-1,2,4-triazol-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 71979618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).