(2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C21H22N4OS — CID 155493540

IUPAC(2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C21H22N4OS/c26-20(19-9-8-18(25-19)15-5-2-1-3-6-15)23-12-10-17-14-27-21(24-17)16-7-4-11-22-13-16/h1-7,11,13-14,18-19,25H,8-10,12H2,(H,23,26)/t18-,19-/m1/s1
InChIKeyNVLAMWREFZRIEA-RTBURBONSA-N
MW378.50 g/mol
LogP3.36
Rot. Bonds6

About (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

(2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 155493540) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID155493540
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name(2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccnc2)n1)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C21H22N4OS/c26-20(19-9-8-18(25-19)15-5-2-1-3-6-15)23-12-10-17-14-27-21(24-17)16-7-4-11-22-13-16/h1-7,11,13-14,18-19,25H,8-10,12H2,(H,23,26)/t18-,19-/m1/s1
InChIKeyNVLAMWREFZRIEA-RTBURBONSA-N
XLogP3.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 155493540) is (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1csc(-c2cccnc2)n1)[C@H]1CC[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is NVLAMWREFZRIEA-RTBURBONSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-20(19-9-8-18(25-19)15-5-2-1-3-6-15)23-12-10-17-14-27-21(24-17)16-7-4-11-22-13-16/h1-7,11,13-14,18-19,25H,8-10,12H2,(H,23,26)/t18-,19-/m1/s1.
What are the key properties of (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
(2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-phenyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155493540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).