[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

C20H22FN3O4S — CID 9383903

IUPAC[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C20H22FN3O4S/c1-11-16(29-18(22-11)13-7-9-14(21)10-8-13)19(26)28-12(2)17(25)24-20(27)23-15-5-3-4-6-15/h7-10,12,15H,3-6H2,1-2H3,(H2,23,24,25,27)/t12-/m1/s1
InChIKeyYLBFEOBSLZPEGM-GFCCVEGCSA-N
MW419.48 g/mol
LogP3.57
Rot. Bonds5

About [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 9383903) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID9383903
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C20H22FN3O4S/c1-11-16(29-18(22-11)13-7-9-14(21)10-8-13)19(26)28-12(2)17(25)24-20(27)23-15-5-3-4-6-15/h7-10,12,15H,3-6H2,1-2H3,(H2,23,24,25,27)/t12-/m1/s1
InChIKeyYLBFEOBSLZPEGM-GFCCVEGCSA-N
XLogP3.57
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513840
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46660400
N-cyclododecyl-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788187
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8513779
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383883
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383871
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383889
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-methylthiophene-2-carboxylate
CID 46790726
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46626343
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666760
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)propanoate
CID 8553461
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (CID 9383903) is [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is Cc1nc(-c2ccc(F)cc2)sc1C(=O)O[C@H](C)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is YLBFEOBSLZPEGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-11-16(29-18(22-11)13-7-9-14(21)10-8-13)19(26)28-12(2)17(25)24-20(27)23-15-5-3-4-6-15/h7-10,12,15H,3-6H2,1-2H3,(H2,23,24,25,27)/t12-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate?
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9383903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).