(3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C17H24F3N3O2S — CID 97066943

IUPAC(3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O2S/c1-9(2)15-21-10(3)14(26-15)11(4)22(5)16(25)12-6-13(24)23(7-12)8-17(18,19)20/h9,11-12H,6-8H2,1-5H3/t11-,12+/m0/s1
InChIKeyDKEHQLHRZJMYII-NWDGAFQWSA-N
MW391.46 g/mol
LogP3.51
Rot. Bonds5

About (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 97066943) has the molecular formula C17H24F3N3O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID97066943
Molecular FormulaC17H24F3N3O2S
Molecular Weight391.46 g/mol
Exact Mass391.15
IUPAC Name(3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O2S/c1-9(2)15-21-10(3)14(26-15)11(4)22(5)16(25)12-6-13(24)23(7-12)8-17(18,19)20/h9,11-12H,6-8H2,1-5H3/t11-,12+/m0/s1
InChIKeyDKEHQLHRZJMYII-NWDGAFQWSA-N
XLogP3.51
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 97066943) is (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is DKEHQLHRZJMYII-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H24F3N3O2S/c1-9(2)15-21-10(3)14(26-15)11(4)22(5)16(25)12-6-13(24)23(7-12)8-17(18,19)20/h9,11-12H,6-8H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 391.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97066943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).