1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

C27H30N4O3S — CID 134190330

IUPAC1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ncc(CCc2ccccc2)s1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C27H30N4O3S/c32-25-16-22(19-31(25)23-9-6-21(7-10-23)18-30-12-14-34-15-13-30)26(33)29-27-28-17-24(35-27)11-8-20-4-2-1-3-5-20/h1-7,9-10,17,22H,8,11-16,18-19H2,(H,28,29,33)
InChIKeyHIPYRMUAUNTQNH-UHFFFAOYSA-N
MW490.63 g/mol
LogP3.75
Rot. Bonds8

About 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide

1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (PubChem CID 134190330) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
PubChem CID134190330
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC Name1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
SMILESO=C(Nc1ncc(CCc2ccccc2)s1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1
InChIInChI=1S/C27H30N4O3S/c32-25-16-22(19-31(25)23-9-6-21(7-10-23)18-30-12-14-34-15-13-30)26(33)29-27-28-17-24(35-27)11-8-20-4-2-1-3-5-20/h1-7,9-10,17,22H,8,11-16,18-19H2,(H,28,29,33)
InChIKeyHIPYRMUAUNTQNH-UHFFFAOYSA-N
XLogP3.75
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.63
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide (CID 134190330) is 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is O=C(Nc1ncc(CCc2ccccc2)s1)C1CC(=O)N(c2ccc(CN3CCOCC3)cc2)C1.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
The InChIKey is HIPYRMUAUNTQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c32-25-16-22(19-31(25)23-9-6-21(7-10-23)18-30-12-14-34-15-13-30)26(33)29-27-28-17-24(35-27)11-8-20-4-2-1-3-5-20/h1-7,9-10,17,22H,8,11-16,18-19H2,(H,28,29,33).
What are the key properties of 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide?
1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)phenyl]-5-oxo-N-[5-(2-phenylethyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134190330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).