propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate

C14H15BrN2O3S2 — CID 56546933

IUPACpropan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)Cc1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C14H15BrN2O3S2/c1-8(2)20-13(19)5-16-12(18)4-10-7-22-14(17-10)11-3-9(15)6-21-11/h3,6-8H,4-5H2,1-2H3,(H,16,18)
InChIKeyMDGHUPAKOCQWMU-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.24
Rot. Bonds6

About propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate

propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate (PubChem CID 56546933) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
PubChem CID56546933
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC Namepropan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate
SMILESCC(C)OC(=O)CNC(=O)Cc1csc(-c2cc(Br)cs2)n1
InChIInChI=1S/C14H15BrN2O3S2/c1-8(2)20-13(19)5-16-12(18)4-10-7-22-14(17-10)11-3-9(15)6-21-11/h3,6-8H,4-5H2,1-2H3,(H,16,18)
InChIKeyMDGHUPAKOCQWMU-UHFFFAOYSA-N
XLogP3.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate with MolForge

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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
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-morpholin-4-ylpropyl)acetamide
CID 55884860
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(3-methoxyphenoxy)ethyl]acetamide
CID 55884855
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
CID 55884605
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 47293285
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-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 55855510
2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 55884476
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
N-[2-(1,3-benzothiazol-2-ylamino)ethyl]-2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55886169
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134021506

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate (CID 56546933) is propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate is CC(C)OC(=O)CNC(=O)Cc1csc(-c2cc(Br)cs2)n1.
What is the InChIKey of propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
The InChIKey is MDGHUPAKOCQWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-8(2)20-13(19)5-16-12(18)4-10-7-22-14(17-10)11-3-9(15)6-21-11/h3,6-8H,4-5H2,1-2H3,(H,16,18).
What are the key properties of propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate?
propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate has a molecular weight of 403.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetate is sourced from PubChem (CID 56546933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).