2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide

C13H15N5O2S — CID 119102036

IUPAC2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C13H15N5O2S/c19-12-14-5-7-17(12)13(20)15-9-10(11-3-1-8-21-11)18-6-2-4-16-18/h1-4,6,8,10H,5,7,9H2,(H,14,19)(H,15,20)
InChIKeyKWSRTSVCHFMWOF-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.27
Rot. Bonds4

About 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide

2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide (PubChem CID 119102036) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
PubChem CID119102036
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C13H15N5O2S/c19-12-14-5-7-17(12)13(20)15-9-10(11-3-1-8-21-11)18-6-2-4-16-18/h1-4,6,8,10H,5,7,9H2,(H,14,19)(H,15,20)
InChIKeyKWSRTSVCHFMWOF-UHFFFAOYSA-N
XLogP1.27
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)carbamate
CID 122265033
4-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265056
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 122265035
2-(4-fluorophenyl)-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)acetamide
CID 122265077
1-(4-fluorophenyl)-3-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)urea
CID 122265442
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 122265113
2-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265055
N-(2-methoxyethyl)-N'-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)oxamide
CID 122265353
3-cyano-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 122265064
2-chloro-6-fluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzamide
CID 121019313
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 122265193
2-phenyl-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)butanamide
CID 119102022

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide?
The IUPAC name of 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide (CID 119102036) is 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide is O=C1NCCN1C(=O)NCC(c1cccs1)n1cccn1.
What is the InChIKey of 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide?
The InChIKey is KWSRTSVCHFMWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c19-12-14-5-7-17(12)13(20)15-9-10(11-3-1-8-21-11)18-6-2-4-16-18/h1-4,6,8,10H,5,7,9H2,(H,14,19)(H,15,20).
What are the key properties of 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide?
2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)imidazolidine-1-carboxamide is sourced from PubChem (CID 119102036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).