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

C12H19N3O2S — CID 63240196

IUPAC4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCc2nc(C)cs2)C1
InChIInChI=1S/C12H19N3O2S/c1-8-7-18-11(15-8)3-4-13-12(16)10-5-9(17-2)6-14-10/h7,9-10,14H,3-6H2,1-2H3,(H,13,16)
InChIKeyIMPRINBTAYCAHG-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.49
Rot. Bonds5

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

4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 63240196) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID63240196
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)NCCc2nc(C)cs2)C1
InChIInChI=1S/C12H19N3O2S/c1-8-7-18-11(15-8)3-4-13-12(16)10-5-9(17-2)6-14-10/h7,9-10,14H,3-6H2,1-2H3,(H,13,16)
InChIKeyIMPRINBTAYCAHG-UHFFFAOYSA-N
XLogP0.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 55176000
4-hydroxy-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]pyrrolidine-2-carboxamide
CID 119875317
4-methoxy-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 79748999
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63240238
4-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 106397734
4-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114390988
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxypyrrolidine-2-carboxamide
CID 61215048
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
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
CID 103832982

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide (CID 63240196) is 4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)NCCc2nc(C)cs2)C1.
What is the InChIKey of 4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is IMPRINBTAYCAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-7-18-11(15-8)3-4-13-12(16)10-5-9(17-2)6-14-10/h7,9-10,14H,3-6H2,1-2H3,(H,13,16).
What are the key properties of 4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide?
4-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.49, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 63240196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).