2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde

C7H3BrN2OS2 — CID 146635967

IUPAC2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ncc(Br)s2)s1
InChIInChI=1S/C7H3BrN2OS2/c8-5-2-10-7(13-5)6-9-1-4(3-11)12-6/h1-3H
InChIKeyQIFOFFYUSVXRDV-UHFFFAOYSA-N
MW275.15 g/mol
LogP2.84
Rot. Bonds2

About 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde

2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 146635967) has the molecular formula C7H3BrN2OS2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID146635967
Molecular FormulaC7H3BrN2OS2
Molecular Weight275.15 g/mol
Exact Mass273.89
IUPAC Name2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(-c2ncc(Br)s2)s1
InChIInChI=1S/C7H3BrN2OS2/c8-5-2-10-7(13-5)6-9-1-4(3-11)12-6/h1-3H
InChIKeyQIFOFFYUSVXRDV-UHFFFAOYSA-N
XLogP2.84
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde (CID 146635967) is 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(-c2ncc(Br)s2)s1.
What is the InChIKey of 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is QIFOFFYUSVXRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrN2OS2/c8-5-2-10-7(13-5)6-9-1-4(3-11)12-6/h1-3H.
What are the key properties of 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde?
2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 275.15 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 146635967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).