2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate

C18H15NO3S2 — CID 7998369

IUPAC2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
SMILESCC(=O)COC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H15NO3S2/c1-12(20)11-22-16(21)10-15-17(14-8-5-9-23-14)19-18(24-15)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyWFGWBDRWVVBYQL-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.21
Rot. Bonds6

About 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate

2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate (PubChem CID 7998369) has the molecular formula C18H15NO3S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate.

Molecular Properties

Compound Name2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
PubChem CID7998369
Molecular FormulaC18H15NO3S2
Molecular Weight357.46 g/mol
Exact Mass357.05
IUPAC Name2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
SMILESCC(=O)COC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C18H15NO3S2/c1-12(20)11-22-16(21)10-15-17(14-8-5-9-23-14)19-18(24-15)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3
InChIKeyWFGWBDRWVVBYQL-UHFFFAOYSA-N
XLogP4.21
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
N-[(3-acetamidophenyl)methyl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 39575691
N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 55916212
N-(3-acetamido-4-fluorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 38173223
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 119485358
2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2499665
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 55972076
methyl 4-[5-(2-methoxy-2-oxoethyl)-4-phenyl-1,3-thiazol-2-yl]benzoate
CID 1472843
2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
CID 59384926
tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate
CID 55972662
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
bis[[2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetyl]oxy]lead
CID 16687384

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate?
The IUPAC name of 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate (CID 7998369) is 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate.
What is the SMILES notation for 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate?
The canonical SMILES for 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate is CC(=O)COC(=O)Cc1sc(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate?
The InChIKey is WFGWBDRWVVBYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S2/c1-12(20)11-22-16(21)10-15-17(14-8-5-9-23-14)19-18(24-15)13-6-3-2-4-7-13/h2-9H,10-11H2,1H3.
What are the key properties of 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate?
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate has a molecular weight of 357.46 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate is sourced from PubChem (CID 7998369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).