3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde

C15H15BrN2O2S — CID 174574951

IUPAC3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde
SMILESCCC1CN(c2nc(-c3ccc(Br)cc3)cs2)C(C=O)O1
InChIInChI=1S/C15H15BrN2O2S/c1-2-12-7-18(14(8-19)20-12)15-17-13(9-21-15)10-3-5-11(16)6-4-10/h3-6,8-9,12,14H,2,7H2,1H3
InChIKeyNCDIAXRXBALGJJ-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.71
Rot. Bonds4

About 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde

3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174574951) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174574951
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde
SMILESCCC1CN(c2nc(-c3ccc(Br)cc3)cs2)C(C=O)O1
InChIInChI=1S/C15H15BrN2O2S/c1-2-12-7-18(14(8-19)20-12)15-17-13(9-21-15)10-3-5-11(16)6-4-10/h3-6,8-9,12,14H,2,7H2,1H3
InChIKeyNCDIAXRXBALGJJ-UHFFFAOYSA-N
XLogP3.71
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.71
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 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde (CID 174574951) is 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde is CCC1CN(c2nc(-c3ccc(Br)cc3)cs2)C(C=O)O1.
What is the InChIKey of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is NCDIAXRXBALGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-2-12-7-18(14(8-19)20-12)15-17-13(9-21-15)10-3-5-11(16)6-4-10/h3-6,8-9,12,14H,2,7H2,1H3.
What are the key properties of 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde?
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 367.27 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-ethyl-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174574951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).