2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

C16H26N4O2S — CID 71868175

IUPAC2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC1CN1CCOCC1)c1nccs1
InChIInChI=1S/C16H26N4O2S/c1-2-14(15-17-5-11-23-15)18-16(21)20-6-3-4-13(20)12-19-7-9-22-10-8-19/h5,11,13-14H,2-4,6-10,12H2,1H3,(H,18,21)
InChIKeyQXGRMXREDBYGJD-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.10
Rot. Bonds5

About 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide

2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (PubChem CID 71868175) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
PubChem CID71868175
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
SMILESCCC(NC(=O)N1CCCC1CN1CCOCC1)c1nccs1
InChIInChI=1S/C16H26N4O2S/c1-2-14(15-17-5-11-23-15)18-16(21)20-6-3-4-13(20)12-19-7-9-22-10-8-19/h5,11,13-14H,2-4,6-10,12H2,1H3,(H,18,21)
InChIKeyQXGRMXREDBYGJD-UHFFFAOYSA-N
XLogP2.10
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide (CID 71868175) is 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is CCC(NC(=O)N1CCCC1CN1CCOCC1)c1nccs1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
The InChIKey is QXGRMXREDBYGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-2-14(15-17-5-11-23-15)18-16(21)20-6-3-4-13(20)12-19-7-9-22-10-8-19/h5,11,13-14H,2-4,6-10,12H2,1H3,(H,18,21).
What are the key properties of 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide?
2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71868175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).