2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide

C16H20BrN3O2S2 — CID 55884860

IUPAC2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide
SMILESCC(CNC(=O)Cc1csc(-c2cc(Br)cs2)n1)N1CCOCC1
InChIInChI=1S/C16H20BrN3O2S2/c1-11(20-2-4-22-5-3-20)8-18-15(21)7-13-10-24-16(19-13)14-6-12(17)9-23-14/h6,9-11H,2-5,7-8H2,1H3,(H,18,21)
InChIKeyYYYIXYMDLCLDDM-UHFFFAOYSA-N
MW430.39 g/mol
LogP3.01
Rot. Bonds6

About 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide

2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide (PubChem CID 55884860) has the molecular formula C16H20BrN3O2S2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide
PubChem CID55884860
Molecular FormulaC16H20BrN3O2S2
Molecular Weight430.39 g/mol
Exact Mass429.02
IUPAC Name2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide
SMILESCC(CNC(=O)Cc1csc(-c2cc(Br)cs2)n1)N1CCOCC1
InChIInChI=1S/C16H20BrN3O2S2/c1-11(20-2-4-22-5-3-20)8-18-15(21)7-13-10-24-16(19-13)14-6-12(17)9-23-14/h6,9-11H,2-5,7-8H2,1H3,(H,18,21)
InChIKeyYYYIXYMDLCLDDM-UHFFFAOYSA-N
XLogP3.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-methylpropanoic acid
CID 119236509
propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 56546933
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24646988
methyl (2R)-2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylpentanoate
CID 52687885
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55884605
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 47293285
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 55857445
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 56547054
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 55855510
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55435927

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide (CID 55884860) is 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide is CC(CNC(=O)Cc1csc(-c2cc(Br)cs2)n1)N1CCOCC1.
What is the InChIKey of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide?
The InChIKey is YYYIXYMDLCLDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O2S2/c1-11(20-2-4-22-5-3-20)8-18-15(21)7-13-10-24-16(19-13)14-6-12(17)9-23-14/h6,9-11H,2-5,7-8H2,1H3,(H,18,21).
What are the key properties of 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide?
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide has a molecular weight of 430.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 55884860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).