[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

C18H22N4O2S — CID 126813645

IUPAC[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESC[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccccn2)s1
InChIInChI=1S/C18H22N4O2S/c1-13-15(21-8-10-24-11-9-21)5-7-22(13)18(23)16-12-20-17(25-16)14-4-2-3-6-19-14/h2-4,6,12-13,15H,5,7-11H2,1H3/t13-,15-/m1/s1
InChIKeyGCFBTYDMCFWSGA-UKRRQHHQSA-N
MW358.47 g/mol
LogP2.14
Rot. Bonds3

About [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone

[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 126813645) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID126813645
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
SMILESC[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccccn2)s1
InChIInChI=1S/C18H22N4O2S/c1-13-15(21-8-10-24-11-9-21)5-7-22(13)18(23)16-12-20-17(25-16)14-4-2-3-6-19-14/h2-4,6,12-13,15H,5,7-11H2,1H3/t13-,15-/m1/s1
InChIKeyGCFBTYDMCFWSGA-UKRRQHHQSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone (CID 126813645) is [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccccn2)s1.
What is the InChIKey of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is GCFBTYDMCFWSGA-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-15(21-8-10-24-11-9-21)5-7-22(13)18(23)16-12-20-17(25-16)14-4-2-3-6-19-14/h2-4,6,12-13,15H,5,7-11H2,1H3/t13-,15-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone?
[(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 358.47 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-3-morpholin-4-ylpyrrolidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 126813645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).