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

C15H24N4O2S — CID 71868474

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1ncc(CNC(=O)N2CCCC2CN2CCOCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-12-16-9-14(22-12)10-17-15(20)19-4-2-3-13(19)11-18-5-7-21-8-6-18/h9,13H,2-8,10-11H2,1H3,(H,17,20)
InChIKeyOZWWVXCAICKHSH-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.46
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 71868474) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID71868474
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCc1ncc(CNC(=O)N2CCCC2CN2CCOCC2)s1
InChIInChI=1S/C15H24N4O2S/c1-12-16-9-14(22-12)10-17-15(20)19-4-2-3-13(19)11-18-5-7-21-8-6-18/h9,13H,2-8,10-11H2,1H3,(H,17,20)
InChIKeyOZWWVXCAICKHSH-UHFFFAOYSA-N
XLogP1.46
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 71868474) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is Cc1ncc(CNC(=O)N2CCCC2CN2CCOCC2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is OZWWVXCAICKHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12-16-9-14(22-12)10-17-15(20)19-4-2-3-13(19)11-18-5-7-21-8-6-18/h9,13H,2-8,10-11H2,1H3,(H,17,20).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71868474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).