4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole

C9H4Br3N3S3 — CID 159325263

IUPAC4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole
SMILESBrc1cscn1.Brc1ncsc1-c1scnc1Br
InChIInChI=1S/C6H2Br2N2S2.C3H2BrNS/c7-5-3(11-1-9-5)4-6(8)10-2-12-4;4-3-1-6-2-5-3/h1-2H;1-2H
InChIKeyLEGWMPSPXDSQQW-UHFFFAOYSA-N
MW490.07 g/mol
LogP5.70
Rot. Bonds1

About 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole

4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole (PubChem CID 159325263) has the molecular formula C9H4Br3N3S3 and a molecular weight of 490.07 g/mol. Its IUPAC name is 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole
PubChem CID159325263
Molecular FormulaC9H4Br3N3S3
Molecular Weight490.07 g/mol
Exact Mass486.71
IUPAC Name4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole
SMILESBrc1cscn1.Brc1ncsc1-c1scnc1Br
InChIInChI=1S/C6H2Br2N2S2.C3H2BrNS/c7-5-3(11-1-9-5)4-6(8)10-2-12-4;4-3-1-6-2-5-3/h1-2H;1-2H
InChIKeyLEGWMPSPXDSQQW-UHFFFAOYSA-N
XLogP5.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.07
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole?
The IUPAC name of 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole (CID 159325263) is 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole?
The canonical SMILES for 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole is Brc1cscn1.Brc1ncsc1-c1scnc1Br.
What is the InChIKey of 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole?
The InChIKey is LEGWMPSPXDSQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2S2.C3H2BrNS/c7-5-3(11-1-9-5)4-6(8)10-2-12-4;4-3-1-6-2-5-3/h1-2H;1-2H.
What are the key properties of 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole?
4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole has a molecular weight of 490.07 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-bromo-1,3-thiazol-5-yl)-1,3-thiazole;4-bromo-1,3-thiazole is sourced from PubChem (CID 159325263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).