N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C15H23N3O2S — CID 56786854

IUPACN-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCN(CC1CCOC1)C(=O)C1CCCN1c1nccs1
InChIInChI=1S/C15H23N3O2S/c1-2-17(10-12-5-8-20-11-12)14(19)13-4-3-7-18(13)15-16-6-9-21-15/h6,9,12-13H,2-5,7-8,10-11H2,1H3
InChIKeyRPCKBTWPCHNSIX-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.00
Rot. Bonds5

About N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 56786854) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID56786854
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC NameN-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESCCN(CC1CCOC1)C(=O)C1CCCN1c1nccs1
InChIInChI=1S/C15H23N3O2S/c1-2-17(10-12-5-8-20-11-12)14(19)13-4-3-7-18(13)15-16-6-9-21-15/h6,9,12-13H,2-5,7-8,10-11H2,1H3
InChIKeyRPCKBTWPCHNSIX-UHFFFAOYSA-N
XLogP2.00
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 56786854) is N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is CCN(CC1CCOC1)C(=O)C1CCCN1c1nccs1.
What is the InChIKey of N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is RPCKBTWPCHNSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-17(10-12-5-8-20-11-12)14(19)13-4-3-7-18(13)15-16-6-9-21-15/h6,9,12-13H,2-5,7-8,10-11H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 309.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56786854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).