(2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

C20H17F2N3OS — CID 154636967

IUPAC(2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H17F2N3OS/c21-14-5-3-13(4-6-14)17-12-27-19(24-17)18-2-1-11-25(18)20(26)23-16-9-7-15(22)8-10-16/h3-10,12,18H,1-2,11H2,(H,23,26)/t18-/m0/s1
InChIKeyVNQCFBKGECZVEQ-SFHVURJKSA-N
MW385.44 g/mol
LogP5.46
Rot. Bonds3

About (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

(2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 154636967) has the molecular formula C20H17F2N3OS and a molecular weight of 385.44 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID154636967
Molecular FormulaC20H17F2N3OS
Molecular Weight385.44 g/mol
Exact Mass385.11
IUPAC Name(2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C20H17F2N3OS/c21-14-5-3-13(4-6-14)17-12-27-19(24-17)18-2-1-11-25(18)20(26)23-16-9-7-15(22)8-10-16/h3-10,12,18H,1-2,11H2,(H,23,26)/t18-/m0/s1
InChIKeyVNQCFBKGECZVEQ-SFHVURJKSA-N
XLogP5.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 154636967) is (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is VNQCFBKGECZVEQ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17F2N3OS/c21-14-5-3-13(4-6-14)17-12-27-19(24-17)18-2-1-11-25(18)20(26)23-16-9-7-15(22)8-10-16/h3-10,12,18H,1-2,11H2,(H,23,26)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
(2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154636967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).