[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

C20H18N2O3S2 — CID 8602963

IUPAC[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccs2)n1)O[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H18N2O3S2/c23-17(11-15-12-27-20(22-15)16-7-4-10-26-16)25-18(13-5-2-1-3-6-13)19(24)21-14-8-9-14/h1-7,10,12,14,18H,8-9,11H2,(H,21,24)/t18-/m0/s1
InChIKeyPXCDTHOXFQYQPO-SFHVURJKSA-N
MW398.51 g/mol
LogP3.98
Rot. Bonds7

About [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 8602963) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID8602963
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
SMILESO=C(Cc1csc(-c2cccs2)n1)O[C@H](C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C20H18N2O3S2/c23-17(11-15-12-27-20(22-15)16-7-4-10-26-16)25-18(13-5-2-1-3-6-13)19(24)21-14-8-9-14/h1-7,10,12,14,18H,8-9,11H2,(H,21,24)/t18-/m0/s1
InChIKeyPXCDTHOXFQYQPO-SFHVURJKSA-N
XLogP3.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
[(1R)-2-amino-1-(4-fluorophenyl)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 41469825
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46625602
cis-(1R,3S)-3-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120679060
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 55390691
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505297
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 55378695
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 55421748
(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579076
methyl (2S)-2-[2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]oxy-2-phenylacetate
CID 30926944
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46826748
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(thiophene-2-carbonyl)benzoate
CID 8835492

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate (CID 8602963) is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is O=C(Cc1csc(-c2cccs2)n1)O[C@H](C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is PXCDTHOXFQYQPO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c23-17(11-15-12-27-20(22-15)16-7-4-10-26-16)25-18(13-5-2-1-3-6-13)19(24)21-14-8-9-14/h1-7,10,12,14,18H,8-9,11H2,(H,21,24)/t18-/m0/s1.
What are the key properties of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate?
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 398.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 8602963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).