[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate

C17H17ClN2O3S — CID 18288385

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCC(OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)NC1CC1
InChIInChI=1S/C17H17ClN2O3S/c1-10(16(22)19-13-5-6-13)23-15(21)8-14-9-24-17(20-14)11-3-2-4-12(18)7-11/h2-4,7,9-10,13H,5-6,8H2,1H3,(H,19,22)
InChIKeyRKKPJXSPJAPLNL-UHFFFAOYSA-N
MW364.85 g/mol
LogP3.22
Rot. Bonds6

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 18288385) has the molecular formula C17H17ClN2O3S and a molecular weight of 364.85 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
PubChem CID18288385
Molecular FormulaC17H17ClN2O3S
Molecular Weight364.85 g/mol
Exact Mass364.06
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
SMILESCC(OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)NC1CC1
InChIInChI=1S/C17H17ClN2O3S/c1-10(16(22)19-13-5-6-13)23-15(21)8-14-9-24-17(20-14)11-3-2-4-12(18)7-11/h2-4,7,9-10,13H,5-6,8H2,1H3,(H,19,22)
InChIKeyRKKPJXSPJAPLNL-UHFFFAOYSA-N
XLogP3.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.85
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 51874973
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8870763
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130241
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9309910
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130807
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 51477019
[(2R)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919957
[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9309925
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815667
(2-chloro-4-nitrophenyl) 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 16563467

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate (CID 18288385) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate is CC(OC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is RKKPJXSPJAPLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3S/c1-10(16(22)19-13-5-6-13)23-15(21)8-14-9-24-17(20-14)11-3-2-4-12(18)7-11/h2-4,7,9-10,13H,5-6,8H2,1H3,(H,19,22).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 364.85 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 18288385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).