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

C16H19BrN2S — CID 1390059

IUPAC4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole
SMILESCCN1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1
InChIInChI=1S/C16H19BrN2S/c1-2-19-8-6-12(7-9-19)16-18-15(11-20-16)13-4-3-5-14(17)10-13/h3-5,10-12H,2,6-9H2,1H3
InChIKeyUOIUXZCCHBUOLE-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.77
Rot. Bonds3

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

4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole (PubChem CID 1390059) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole
PubChem CID1390059
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole
SMILESCCN1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1
InChIInChI=1S/C16H19BrN2S/c1-2-19-8-6-12(7-9-19)16-18-15(11-20-16)13-4-3-5-14(17)10-13/h3-5,10-12H,2,6-9H2,1H3
InChIKeyUOIUXZCCHBUOLE-UHFFFAOYSA-N
XLogP4.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole (CID 1390059) is 4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole is CCN1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1.
What is the InChIKey of 4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole?
The InChIKey is UOIUXZCCHBUOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-2-19-8-6-12(7-9-19)16-18-15(11-20-16)13-4-3-5-14(17)10-13/h3-5,10-12H,2,6-9H2,1H3.
What are the key properties of 4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole?
4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole has a molecular weight of 351.31 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(1-ethylpiperidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 1390059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).