4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole

C15H16BrNO2S — CID 116782540

IUPAC4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
SMILESCOC1(c2nc(-c3cccc(Br)c3)cs2)CCOCC1
InChIInChI=1S/C15H16BrNO2S/c1-18-15(5-7-19-8-6-15)14-17-13(10-20-14)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3
InChIKeyGJEFHIHSFAHLNI-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.22
Rot. Bonds3

About 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole

4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole (PubChem CID 116782540) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
PubChem CID116782540
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole
SMILESCOC1(c2nc(-c3cccc(Br)c3)cs2)CCOCC1
InChIInChI=1S/C15H16BrNO2S/c1-18-15(5-7-19-8-6-15)14-17-13(10-20-14)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3
InChIKeyGJEFHIHSFAHLNI-UHFFFAOYSA-N
XLogP4.22
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole (CID 116782540) is 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole is COC1(c2nc(-c3cccc(Br)c3)cs2)CCOCC1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole?
The InChIKey is GJEFHIHSFAHLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-18-15(5-7-19-8-6-15)14-17-13(10-20-14)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole?
4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole has a molecular weight of 354.27 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 116782540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).