N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C12H18N4O2S — CID 131942207

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCSc1ncc(CNC(=O)CN2CCCC2=O)n1C
InChIInChI=1S/C12H18N4O2S/c1-15-9(7-14-12(15)19-2)6-13-10(17)8-16-5-3-4-11(16)18/h7H,3-6,8H2,1-2H3,(H,13,17)
InChIKeyTWTRHWNLWRLCSN-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.38
Rot. Bonds5

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 131942207) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID131942207
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCSc1ncc(CNC(=O)CN2CCCC2=O)n1C
InChIInChI=1S/C12H18N4O2S/c1-15-9(7-14-12(15)19-2)6-13-10(17)8-16-5-3-4-11(16)18/h7H,3-6,8H2,1-2H3,(H,13,17)
InChIKeyTWTRHWNLWRLCSN-UHFFFAOYSA-N
XLogP0.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 86824300
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72918065
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47143924
(3S)-1-acetyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]piperidine-3-carboxamide
CID 97202862
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369
2-(2-oxopyrrolidin-1-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)acetamide
CID 114693608
N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 110119116
N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 118773656

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 131942207) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is CSc1ncc(CNC(=O)CN2CCCC2=O)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is TWTRHWNLWRLCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-15-9(7-14-12(15)19-2)6-13-10(17)8-16-5-3-4-11(16)18/h7H,3-6,8H2,1-2H3,(H,13,17).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 282.37 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 131942207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).