(2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide

C17H16F3N3O2S — CID 71071745

IUPAC(2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C17H16F3N3O2S/c1-9-16(23-15(25)12-5-6-13(24)22-12)26-14(21-9)8-10-3-2-4-11(7-10)17(18,19)20/h2-4,7,12H,5-6,8H2,1H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyKZYYTPNSEPZASL-LBPRGKRZSA-N
MW383.40 g/mol
LogP3.28
Rot. Bonds4

About (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 71071745) has the molecular formula C17H16F3N3O2S and a molecular weight of 383.40 g/mol. Its IUPAC name is (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID71071745
Molecular FormulaC17H16F3N3O2S
Molecular Weight383.40 g/mol
Exact Mass383.09
IUPAC Name(2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
SMILESCc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C17H16F3N3O2S/c1-9-16(23-15(25)12-5-6-13(24)22-12)26-14(21-9)8-10-3-2-4-11(7-10)17(18,19)20/h2-4,7,12H,5-6,8H2,1H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyKZYYTPNSEPZASL-LBPRGKRZSA-N
XLogP3.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]pyrrolidine-3-carboxamide
CID 71071866
N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]thiophene-3-carboxamide
CID 71071188
3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide
CID 71071620
(E)-3-(1H-imidazol-5-yl)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]prop-2-enamide
CID 71082020
2-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066894
5-[(3-methoxyphenoxy)methyl]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]furan-2-carboxamide
CID 71071530
3-[butanoyl(methyl)amino]-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]benzamide
CID 71082021
(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95771540
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 112765279
(2R)-N-methyl-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 146122046
ethyl 4-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-2-(trifluoromethyl)benzoate
CID 162621143
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide (CID 71071745) is (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide is Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KZYYTPNSEPZASL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16F3N3O2S/c1-9-16(23-15(25)12-5-6-13(24)22-12)26-14(21-9)8-10-3-2-4-11(7-10)17(18,19)20/h2-4,7,12H,5-6,8H2,1H3,(H,22,24)(H,23,25)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 71071745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).