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

C14H16BrNOS — CID 116734452

IUPAC4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
SMILESCCOC(C)(C)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H16BrNOS/c1-4-17-14(2,3)13-16-12(9-18-13)10-7-5-6-8-11(10)15/h5-9H,4H2,1-3H3
InChIKeyXBBRKNJLINJMSX-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.84
Rot. Bonds4

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

4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole (PubChem CID 116734452) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
PubChem CID116734452
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
SMILESCCOC(C)(C)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H16BrNOS/c1-4-17-14(2,3)13-16-12(9-18-13)10-7-5-6-8-11(10)15/h5-9H,4H2,1-3H3
InChIKeyXBBRKNJLINJMSX-UHFFFAOYSA-N
XLogP4.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole (CID 116734452) is 4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole is CCOC(C)(C)c1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole?
The InChIKey is XBBRKNJLINJMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-4-17-14(2,3)13-16-12(9-18-13)10-7-5-6-8-11(10)15/h5-9H,4H2,1-3H3.
What are the key properties of 4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole?
4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole has a molecular weight of 326.26 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 116734452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).