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

C11H17N3OS — CID 63239936

IUPAC3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCc2nccs2)CCNC1
InChIInChI=1S/C11H17N3OS/c1-11(3-5-12-8-11)10(15)14-4-2-9-13-6-7-16-9/h6-7,12H,2-5,8H2,1H3,(H,14,15)
InChIKeyNAPDOUOTXSSIIS-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.80
Rot. Bonds4

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

3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63239936) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63239936
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1(C(=O)NCCc2nccs2)CCNC1
InChIInChI=1S/C11H17N3OS/c1-11(3-5-12-8-11)10(15)14-4-2-9-13-6-7-16-9/h6-7,12H,2-5,8H2,1H3,(H,14,15)
InChIKeyNAPDOUOTXSSIIS-UHFFFAOYSA-N
XLogP0.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxamide
CID 63239889
3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55176192
3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119890763
(3S)-3-methyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 129369013
3-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119946078
4-methyl-N-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 55177553
N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 103808122
N-[2-(dimethylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63140487
3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrrolidine-3-carboxamide
CID 63142468
N-[2-(dimethylcarbamoylamino)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 83110875
(3R)-3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]pyrrolidine-3-carboxamide
CID 125135274
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 63239936) is 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is CC1(C(=O)NCCc2nccs2)CCNC1.
What is the InChIKey of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is NAPDOUOTXSSIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(3-5-12-8-11)10(15)14-4-2-9-13-6-7-16-9/h6-7,12H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63239936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).