5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde

C9H8Br2N2OS2 — CID 159853654

IUPAC5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(Br)c(C=O)s1.Cc1ncc(Br)s1
InChIInChI=1S/C5H4BrNOS.C4H4BrNS/c1-3-7-5(6)4(2-8)9-3;1-3-6-2-4(5)7-3/h2H,1H3;2H,1H3
InChIKeyNQGGBCPNZLUXOE-UHFFFAOYSA-N
MW384.12 g/mol
LogP4.24
Rot. Bonds1

About 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde

5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 159853654) has the molecular formula C9H8Br2N2OS2 and a molecular weight of 384.12 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID159853654
Molecular FormulaC9H8Br2N2OS2
Molecular Weight384.12 g/mol
Exact Mass381.84
IUPAC Name5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(Br)c(C=O)s1.Cc1ncc(Br)s1
InChIInChI=1S/C5H4BrNOS.C4H4BrNS/c1-3-7-5(6)4(2-8)9-3;1-3-6-2-4(5)7-3/h2H,1H3;2H,1H3
InChIKeyNQGGBCPNZLUXOE-UHFFFAOYSA-N
XLogP4.24
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 54.24
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 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde (CID 159853654) is 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(Br)c(C=O)s1.Cc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is NQGGBCPNZLUXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNOS.C4H4BrNS/c1-3-7-5(6)4(2-8)9-3;1-3-6-2-4(5)7-3/h2H,1H3;2H,1H3.
What are the key properties of 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde?
5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 384.12 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1,3-thiazole;4-bromo-2-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 159853654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).