4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide

C11H17N3O2S — CID 55012169

IUPAC4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2cscn2)C1
InChIInChI=1S/C11H17N3O2S/c1-14(5-8-6-17-7-13-8)11(15)10-3-9(16-2)4-12-10/h6-7,9-10,12H,3-5H2,1-2H3
InChIKeyLFNRELZQDLWXFP-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.48
Rot. Bonds4

About 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide

4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 55012169) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID55012169
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2cscn2)C1
InChIInChI=1S/C11H17N3O2S/c1-14(5-8-6-17-7-13-8)11(15)10-3-9(16-2)4-12-10/h6-7,9-10,12H,3-5H2,1-2H3
InChIKeyLFNRELZQDLWXFP-UHFFFAOYSA-N
XLogP0.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 62335262
4-methoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrrolidine-2-carboxamide
CID 79494578
3-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclopentane-1-carboxamide
CID 66010670
4-methoxy-N-methyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 61215235
(2R,3S)-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)morpholine-3-carboxamide
CID 120940162
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61215363
6-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 55013273
4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511706
N-cyclopropyl-4-methoxy-N-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61214082
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 61214201
(2S,4S)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 128978970
N-(2-ethoxyethyl)-4-methoxy-N-methylpyrrolidine-2-carboxamide
CID 81059751

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide (CID 55012169) is 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide is COC1CNC(C(=O)N(C)Cc2cscn2)C1.
What is the InChIKey of 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is LFNRELZQDLWXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-14(5-8-6-17-7-13-8)11(15)10-3-9(16-2)4-12-10/h6-7,9-10,12H,3-5H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide?
4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55012169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).