4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide

C11H17N3O2S — CID 55176000

IUPAC4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCc2nccs2)C1
InChIInChI=1S/C11H17N3O2S/c1-16-8-6-9(14-7-8)11(15)13-3-2-10-12-4-5-17-10/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyYZYUNFWVLNNISP-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.18
Rot. Bonds5

About 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide

4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 55176000) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID55176000
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCc2nccs2)C1
InChIInChI=1S/C11H17N3O2S/c1-16-8-6-9(14-7-8)11(15)13-3-2-10-12-4-5-17-10/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,13,15)
InChIKeyYZYUNFWVLNNISP-UHFFFAOYSA-N
XLogP0.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 63240196
4-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 106397734
N-[(4-methoxypyrrolidin-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 63240745
4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 79748999
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215048
4-methoxy-N-(pyridazin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 106896215
2-[(4-methoxypyrrolidine-2-carbonyl)amino]ethyl carbamate
CID 83209217
4-methoxy-N-(4-methylpentyl)pyrrolidine-2-carboxamide
CID 61215245
N-[2-(2-hydroxyethoxy)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61276211
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 107068174
N-(2-cyclohexylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61215073
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 55176000) is 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCc2nccs2)C1.
What is the InChIKey of 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is YZYUNFWVLNNISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-16-8-6-9(14-7-8)11(15)13-3-2-10-12-4-5-17-10/h4-5,8-9,14H,2-3,6-7H2,1H3,(H,13,15).
What are the key properties of 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55176000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).