2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide

C12H17N3O2S — CID 134796572

IUPAC2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
SMILESCC(C)N1CC(C(=O)NCc2cccs2)NC1=O
InChIInChI=1S/C12H17N3O2S/c1-8(2)15-7-10(14-12(15)17)11(16)13-6-9-4-3-5-18-9/h3-5,8,10H,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyKNGHJJCBZXCXLD-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.17
Rot. Bonds4

About 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide

2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide (PubChem CID 134796572) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
PubChem CID134796572
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide
SMILESCC(C)N1CC(C(=O)NCc2cccs2)NC1=O
InChIInChI=1S/C12H17N3O2S/c1-8(2)15-7-10(14-12(15)17)11(16)13-6-9-4-3-5-18-9/h3-5,8,10H,6-7H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyKNGHJJCBZXCXLD-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11258581
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
N1,N2-Bis(thiophen-2-ylmethyl)oxalamide
CID 6421749
1-cyclopentyl-5-oxo-N-(thien-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3245544
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 4811995
(2S)-N-hydroxy-4-methyl-2-(thiophen-2-ylmethylcarbamoylamino)pentanamide
CID 71457623
N,N-dimethyl-5-oxo-1-(2-thienylmethyl)-2-pyrrolidinecarboxamide
CID 3811771
1-isopropyl-5-oxo-N-(thien-2-ylmethyl)prolinamide
CID 4139790
N-cyclohexyl-N~2~-[(2,5-dioxoimidazolidin-4-yl)acetyl]-N~2~-(thiophen-2-ylmethyl)isovalinamide
CID 4234389
2-[4-(Thiophen-2-ylmethylamino)butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 56850516
1-[2,5-Dioxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide
CID 2980621
N-cyclopentyl-2-methyl-5-oxo-1-(thien-2-ylmethyl)prolinamide
CID 3239395

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide?
The IUPAC name of 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide (CID 134796572) is 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide is CC(C)N1CC(C(=O)NCc2cccs2)NC1=O.
What is the InChIKey of 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide?
The InChIKey is KNGHJJCBZXCXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(2)15-7-10(14-12(15)17)11(16)13-6-9-4-3-5-18-9/h3-5,8,10H,6-7H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide?
2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-propan-2-yl-N-(thiophen-2-ylmethyl)imidazolidine-4-carboxamide is sourced from PubChem (CID 134796572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).