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

C19H19N5OS — CID 155497132

IUPAC(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1csc(-c2ncccn2)n1)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C19H19N5OS/c25-18(16-8-7-15(24-16)13-5-2-1-3-6-13)22-11-14-12-26-19(23-14)17-20-9-4-10-21-17/h1-6,9-10,12,15-16,24H,7-8,11H2,(H,22,25)/t15-,16-/m1/s1
InChIKeyJBQMGELYTSXCKI-HZPDHXFCSA-N
MW365.46 g/mol
LogP2.71
Rot. Bonds5

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

(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 155497132) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is (2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID155497132
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC Name(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1csc(-c2ncccn2)n1)[C@H]1CC[C@H](c2ccccc2)N1
InChIInChI=1S/C19H19N5OS/c25-18(16-8-7-15(24-16)13-5-2-1-3-6-13)22-11-14-12-26-19(23-14)17-20-9-4-10-21-17/h1-6,9-10,12,15-16,24H,7-8,11H2,(H,22,25)/t15-,16-/m1/s1
InChIKeyJBQMGELYTSXCKI-HZPDHXFCSA-N
XLogP2.71
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 155497132) is (2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1csc(-c2ncccn2)n1)[C@H]1CC[C@H](c2ccccc2)N1.
What is the InChIKey of (2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is JBQMGELYTSXCKI-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-18(16-8-7-15(24-16)13-5-2-1-3-6-13)22-11-14-12-26-19(23-14)17-20-9-4-10-21-17/h1-6,9-10,12,15-16,24H,7-8,11H2,(H,22,25)/t15-,16-/m1/s1.
What are the key properties of (2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
(2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155497132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).