(2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C20H18FN3OS — CID 154636976

IUPAC(2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1
InChIInChI=1S/C20H18FN3OS/c21-15-8-10-16(11-9-15)23-20(25)24-12-4-7-17(24)19-22-13-18(26-19)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,17H,4,7,12H2,(H,23,25)/t17-/m0/s1
InChIKeyZLWBTHAVVLYHPU-KRWDZBQOSA-N
MW367.45 g/mol
LogP5.32
Rot. Bonds3

About (2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

(2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 154636976) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is (2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID154636976
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name(2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1
InChIInChI=1S/C20H18FN3OS/c21-15-8-10-16(11-9-15)23-20(25)24-12-4-7-17(24)19-22-13-18(26-19)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,17H,4,7,12H2,(H,23,25)/t17-/m0/s1
InChIKeyZLWBTHAVVLYHPU-KRWDZBQOSA-N
XLogP5.32
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.32
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-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 154636976) is (2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1ncc(-c2ccccc2)s1.
What is the InChIKey of (2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is ZLWBTHAVVLYHPU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18FN3OS/c21-15-8-10-16(11-9-15)23-20(25)24-12-4-7-17(24)19-22-13-18(26-19)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,17H,4,7,12H2,(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
(2S)-N-(4-fluorophenyl)-2-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 5.32, 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-(5-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 154636976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).