N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide

C11H16N4O2S — CID 88759235

IUPACN-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCCN1CCCC1)C(=O)Nc1nccs1
InChIInChI=1S/C11H16N4O2S/c16-9(10(17)14-11-13-4-8-18-11)12-3-7-15-5-1-2-6-15/h4,8H,1-3,5-7H2,(H,12,16)(H,13,14,17)
InChIKeyCUAIYSDJGIEKAG-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.29
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide

N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide (PubChem CID 88759235) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
PubChem CID88759235
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC NameN-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
SMILESO=C(NCCN1CCCC1)C(=O)Nc1nccs1
InChIInChI=1S/C11H16N4O2S/c16-9(10(17)14-11-13-4-8-18-11)12-3-7-15-5-1-2-6-15/h4,8H,1-3,5-7H2,(H,12,16)(H,13,14,17)
InChIKeyCUAIYSDJGIEKAG-UHFFFAOYSA-N
XLogP0.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 60659943
3-(4-hydroxypiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86217821
N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 60701896
N-[2-(2-fluorophenyl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 2266097
N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 30578108
N-[(2S)-2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 40947898
N-(1,3-thiazol-2-yl)prop-2-ynamide
CID 45121776
3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
1-[(2S)-2-pyrrolidin-1-ylbutyl]-3-(1,3-thiazol-2-yl)urea
CID 95131197
N-(2-piperazin-1-ylethyl)-1,3-thiazol-2-amine
CID 43600406
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
1-benzyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 60548570

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide (CID 88759235) is N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide is O=C(NCCN1CCCC1)C(=O)Nc1nccs1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide?
The InChIKey is CUAIYSDJGIEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c16-9(10(17)14-11-13-4-8-18-11)12-3-7-15-5-1-2-6-15/h4,8H,1-3,5-7H2,(H,12,16)(H,13,14,17).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide?
N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide has a molecular weight of 268.34 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 88759235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).