4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide

C20H21BrN2O2S — CID 126456659

IUPAC4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide
SMILESBr.COc1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2S.BrH/c1-23-17-9-7-16(8-10-17)19-18(15-5-3-2-4-6-15)21-20(25-19)22-11-13-24-14-12-22;/h2-10H,11-14H2,1H3;1H
InChIKeyDEVNEPHREMHMAT-UHFFFAOYSA-N
MW433.37 g/mol
LogP4.90
Rot. Bonds4

About 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide

4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide (PubChem CID 126456659) has the molecular formula C20H21BrN2O2S and a molecular weight of 433.37 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide
PubChem CID126456659
Molecular FormulaC20H21BrN2O2S
Molecular Weight433.37 g/mol
Exact Mass432.05
IUPAC Name4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide
SMILESBr.COc1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2S.BrH/c1-23-17-9-7-16(8-10-17)19-18(15-5-3-2-4-6-15)21-20(25-19)22-11-13-24-14-12-22;/h2-10H,11-14H2,1H3;1H
InChIKeyDEVNEPHREMHMAT-UHFFFAOYSA-N
XLogP4.90
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 653894
4-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]thiomorpholine
CID 1490762
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylpiperazine
CID 4788158
1-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 9998279
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylguanidine
CID 9999107
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-propan-2-ylguanidine
CID 10318585
[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 10386867
1-[4,5-Bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylguanidine
CID 10429998
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
CID 10455872
4,5-Bis(4-methoxyphenyl)-2-(1-methyl-1,2,5,6-tetrahydro-4-pyridyl)thiazole
CID 11741253
5-benzyl-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706125
5-[(2-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-phenyl-thiazol-2-amine
CID 72706187

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide?
The IUPAC name of 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide (CID 126456659) is 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide is Br.COc1ccc(-c2sc(N3CCOCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide?
The InChIKey is DEVNEPHREMHMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S.BrH/c1-23-17-9-7-16(8-10-17)19-18(15-5-3-2-4-6-15)21-20(25-19)22-11-13-24-14-12-22;/h2-10H,11-14H2,1H3;1H.
What are the key properties of 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide?
4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide has a molecular weight of 433.37 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholine;hydrobromide is sourced from PubChem (CID 126456659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).