2,4-dibromo-1,3-thiazole-5-carbaldehyde

C4HBr2NOS — CID 3692839

IUPAC2,4-dibromo-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Br)nc1Br
InChIInChI=1S/C4HBr2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChIKeyFDBMZERYWBZSQS-UHFFFAOYSA-N
MW270.93 g/mol
LogP2.48
Rot. Bonds1

About 2,4-dibromo-1,3-thiazole-5-carbaldehyde

2,4-dibromo-1,3-thiazole-5-carbaldehyde (PubChem CID 3692839) has the molecular formula C4HBr2NOS and a molecular weight of 270.93 g/mol. Its IUPAC name is 2,4-dibromo-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2,4-dibromo-1,3-thiazole-5-carbaldehyde
PubChem CID3692839
Molecular FormulaC4HBr2NOS
Molecular Weight270.93 g/mol
Exact Mass268.81
IUPAC Name2,4-dibromo-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Br)nc1Br
InChIInChI=1S/C4HBr2NOS/c5-3-2(1-8)9-4(6)7-3/h1H
InChIKeyFDBMZERYWBZSQS-UHFFFAOYSA-N
XLogP2.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.93
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-4-chloro-1,3-thiazole-5-carbaldehyde
CID 15141968
4-Bromo-1,3-thiazole-5-carbaldehyde
CID 45480408
4-Bromo-2-(trifluoromethyl)-1,3-thiazole-5-carbaldehyde
CID 118990019
4-Bromo-2-(difluoromethyl)-1,3-thiazole-5-carbaldehyde
CID 137935458
2-Bromo-4-fluorothiazole-5-carbaldehyde
CID 171545631
4-Bromo-2-(4-bromo-5-formyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carbaldehyde
CID 101000704
CID 88049416
CID 88049416
2-Amino-4-bromo-1,3-thiazole-5-carbaldehyde
CID 88049428
4-Bromo-2-iodo-1,3-thiazole-5-carbaldehyde
CID 88049455
CID 89044266
CID 89044266
4-Bromo-2-methylthiazole-5-carbaldehyde
CID 89746641
CID 90814042
CID 90814042

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2,4-dibromo-1,3-thiazole-5-carbaldehyde (CID 3692839) is 2,4-dibromo-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2,4-dibromo-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2,4-dibromo-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Br)nc1Br.
What is the InChIKey of 2,4-dibromo-1,3-thiazole-5-carbaldehyde?
The InChIKey is FDBMZERYWBZSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBr2NOS/c5-3-2(1-8)9-4(6)7-3/h1H.
What are the key properties of 2,4-dibromo-1,3-thiazole-5-carbaldehyde?
2,4-dibromo-1,3-thiazole-5-carbaldehyde has a molecular weight of 270.93 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 3692839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).