4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole

C14H16BrNOS — CID 116734447

IUPAC4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
SMILESCCOC(CC)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H16BrNOS/c1-3-13(17-4-2)14-16-12(9-18-14)10-7-5-6-8-11(10)15/h5-9,13H,3-4H2,1-2H3
InChIKeyWYGKRCMTPZDPLG-UHFFFAOYSA-N
MW326.26 g/mol
LogP5.06
Rot. Bonds5

About 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole

4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole (PubChem CID 116734447) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
PubChem CID116734447
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole
SMILESCCOC(CC)c1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C14H16BrNOS/c1-3-13(17-4-2)14-16-12(9-18-14)10-7-5-6-8-11(10)15/h5-9,13H,3-4H2,1-2H3
InChIKeyWYGKRCMTPZDPLG-UHFFFAOYSA-N
XLogP5.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.26
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-ethoxypropyl)-1,3-thiazol-4-yl]aniline
CID 116727349
1-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3890343
3-[4-(2-bromophenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965075
4-(dimethoxymethyl)-2-(1-ethoxypropyl)-1,3-thiazole
CID 116705379
[4-(2-bromophenyl)-1,3-thiazol-2-yl]-phenylmethanamine
CID 61337111
4-(2-bromophenyl)-2-(2-ethoxypropan-2-yl)-1,3-thiazole
CID 116734452
5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine
CID 116706650
4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole
CID 2442244
2-amino-2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]acetic acid
CID 116966735
4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734667
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 116968369
4-(2-bromophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 8963860

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole (CID 116734447) is 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole is CCOC(CC)c1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole?
The InChIKey is WYGKRCMTPZDPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-3-13(17-4-2)14-16-12(9-18-14)10-7-5-6-8-11(10)15/h5-9,13H,3-4H2,1-2H3.
What are the key properties of 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole?
4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole has a molecular weight of 326.26 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(1-ethoxypropyl)-1,3-thiazole is sourced from PubChem (CID 116734447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).