[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate

C17H15Cl2FN2O3S — CID 1470388

IUPAC[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESO=C(O[C@@H](C(=O)NC1CCCC1)c1ccccc1F)c1nsc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2FN2O3S/c18-12-13(22-26-15(12)19)17(24)25-14(10-7-3-4-8-11(10)20)16(23)21-9-5-1-2-6-9/h3-4,7-9,14H,1-2,5-6H2,(H,21,23)/t14-/m1/s1
InChIKeyXNPSSUGZDYRYEH-CQSZACIVSA-N
MW417.29 g/mol
LogP4.55
Rot. Bonds5

About [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate

[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate (PubChem CID 1470388) has the molecular formula C17H15Cl2FN2O3S and a molecular weight of 417.29 g/mol. Its IUPAC name is [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate.

Molecular Properties

Compound Name[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
PubChem CID1470388
Molecular FormulaC17H15Cl2FN2O3S
Molecular Weight417.29 g/mol
Exact Mass416.02
IUPAC Name[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
SMILESO=C(O[C@@H](C(=O)NC1CCCC1)c1ccccc1F)c1nsc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2FN2O3S/c18-12-13(22-26-15(12)19)17(24)25-14(10-7-3-4-8-11(10)20)16(23)21-9-5-1-2-6-9/h3-4,7-9,14H,1-2,5-6H2,(H,21,23)/t14-/m1/s1
InChIKeyXNPSSUGZDYRYEH-CQSZACIVSA-N
XLogP4.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate with MolForge

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Related Compounds

[1-(2-fluorophenyl)-2-oxo-2-(2-phenylethylamino)ethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220402
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 3220362
[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470332
[(2R)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470315
4,5-dichloro-N-[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopentyl-1,2-thiazole-3-carboxamide
CID 3197070
4,5-dichloro-N-[(1S)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2-ethoxyphenyl)-1,2-thiazole-3-carboxamide
CID 98101681
4,5-dichloro-N-[(1S)-2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(4-fluorophenyl)-1,2-thiazole-3-carboxamide
CID 98101823
[(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 25414238
4,5-dichloro-N-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(2-ethoxyphenyl)-1,2-thiazole-3-carboxamide
CID 3197136
4,5-dichloro-N-[(1S)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(4-ethoxyphenyl)-1,2-thiazole-3-carboxamide
CID 98101642
[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate
CID 1470305
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The IUPAC name of [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate (CID 1470388) is [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate.
What is the SMILES notation for [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The canonical SMILES for [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate is O=C(O[C@@H](C(=O)NC1CCCC1)c1ccccc1F)c1nsc(Cl)c1Cl.
What is the InChIKey of [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
The InChIKey is XNPSSUGZDYRYEH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O3S/c18-12-13(22-26-15(12)19)17(24)25-14(10-7-3-4-8-11(10)20)16(23)21-9-5-1-2-6-9/h3-4,7-9,14H,1-2,5-6H2,(H,21,23)/t14-/m1/s1.
What are the key properties of [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate?
[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate has a molecular weight of 417.29 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl] 4,5-dichloro-1,2-thiazole-3-carboxylate is sourced from PubChem (CID 1470388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).