2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde

C4HBrClNOS — CID 15141968

IUPAC2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Br)nc1Cl
InChIInChI=1S/C4HBrClNOS/c5-4-7-3(6)2(1-8)9-4/h1H
InChIKeyBFBUJEAWHKPSRJ-UHFFFAOYSA-N
MW226.48 g/mol
LogP2.37
Rot. Bonds1

About 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde

2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde (PubChem CID 15141968) has the molecular formula C4HBrClNOS and a molecular weight of 226.48 g/mol. Its IUPAC name is 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde
PubChem CID15141968
Molecular FormulaC4HBrClNOS
Molecular Weight226.48 g/mol
Exact Mass224.87
IUPAC Name2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(Br)nc1Cl
InChIInChI=1S/C4HBrClNOS/c5-4-7-3(6)2(1-8)9-4/h1H
InChIKeyBFBUJEAWHKPSRJ-UHFFFAOYSA-N
XLogP2.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.48
LogP ≤ 52.37
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

2,4-Dichloro-1,3-thiazole-5-carboxaldehyde
CID 1488672
2,4-Dibromo-thiazole-5-carbaldehyde
CID 3692839
4-Chloro-1,3-thiazole-5-carbaldehyde
CID 14501317
4-Chloro-2-methoxy-1,3-thiazole-5-carbaldehyde
CID 33777885
4-Chloro-2-methyl-1,3-thiazole-5-carbaldehyde
CID 21052312
4-Chloro-2-iodo-1,3-thiazole-5-carbaldehyde
CID 137935417
4-Chloro-2-methylsulfanyl-1,3-thiazole-5-carbaldehyde
CID 15665808
2-Bromo-4-fluorothiazole-5-carbaldehyde
CID 171545631
4-Chloro-2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 80687180
4-Chloro-2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazole-5-carbaldehyde
CID 80687721
4-Chloro-2-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carbaldehyde
CID 80688457
4-Chloro-2-(2,2-difluoroethoxy)-1,3-thiazole-5-carbaldehyde
CID 82006061

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde (CID 15141968) is 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde is O=Cc1sc(Br)nc1Cl.
What is the InChIKey of 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde?
The InChIKey is BFBUJEAWHKPSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrClNOS/c5-4-7-3(6)2(1-8)9-4/h1H.
What are the key properties of 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde?
2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde has a molecular weight of 226.48 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 15141968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).