(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

C18H18F3N3O2S — CID 51595150

IUPAC(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)CC1=O
InChIInChI=1S/C18H18F3N3O2S/c1-2-24-10-12(8-15(24)25)16(26)23-17-22-9-14(27-17)7-11-4-3-5-13(6-11)18(19,20)21/h3-6,9,12H,2,7-8,10H2,1H3,(H,22,23,26)/t12-/m0/s1
InChIKeyKUOZQEFXMCMJOA-LBPRGKRZSA-N
MW397.42 g/mol
LogP3.56
Rot. Bonds5

About (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 51595150) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID51595150
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC Name(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)CC1=O
InChIInChI=1S/C18H18F3N3O2S/c1-2-24-10-12(8-15(24)25)16(26)23-17-22-9-14(27-17)7-11-4-3-5-13(6-11)18(19,20)21/h3-6,9,12H,2,7-8,10H2,1H3,(H,22,23,26)/t12-/m0/s1
InChIKeyKUOZQEFXMCMJOA-LBPRGKRZSA-N
XLogP3.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,6-difluorophenyl)methyl]-1,3-thiazol-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 138058437
(3R)-1-(furan-2-carbonyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 30377719
7a-methyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 16579311
5-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55756656
3-amino-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119698306
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CID 51328951
N-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 93202751
3-ethyl-1-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 46970156
(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 120920488
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55495860
N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 47059650
N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (CID 51595150) is (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)CC1=O.
What is the InChIKey of (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is KUOZQEFXMCMJOA-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c1-2-24-10-12(8-15(24)25)16(26)23-17-22-9-14(27-17)7-11-4-3-5-13(6-11)18(19,20)21/h3-6,9,12H,2,7-8,10H2,1H3,(H,22,23,26)/t12-/m0/s1.
What are the key properties of (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
(3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 397.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-5-oxo-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 51595150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).