N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide

C12H13N3O2S — CID 6385561

IUPACN-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/Cc2cccs2)N1C
InChIInChI=1S/C12H13N3O2S/c1-8(16)13-12-14-11(17)10(15(12)2)6-5-9-4-3-7-18-9/h3-4,6-7H,5H2,1-2H3,(H,13,14,16,17)/b10-6-
InChIKeyAJCOJTXHSYNPBZ-POHAHGRESA-N
MW263.32 g/mol
LogP1.14
Rot. Bonds2

About N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide

N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide (PubChem CID 6385561) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
PubChem CID6385561
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
SMILESCC(=O)NC1=NC(=O)/C(=C/Cc2cccs2)N1C
InChIInChI=1S/C12H13N3O2S/c1-8(16)13-12-14-11(17)10(15(12)2)6-5-9-4-3-7-18-9/h3-4,6-7H,5H2,1-2H3,(H,13,14,16,17)/b10-6-
InChIKeyAJCOJTXHSYNPBZ-POHAHGRESA-N
XLogP1.14
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Methylsulfanyl imidazol-4-one, 8
CID 135932619
(4Z)-2-piperazin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136273060
2-Imino-1-methyl-5-[(5-methyl-2-thienyl)methylene]-4-imidazolidinone
CID 885627
N-[(5E)-1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 5716781
(4E)-2-methylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135445605
N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 2826150
2-(1-Piperidinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135493936
2-(4-Morpholinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135493955
CID 145924198
CID 145924198
(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one
CID 750610
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-imino-1-methylimidazolidin-4-one
CID 19577206
(4Z)-2-propylsulfanyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 177858144

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide?
The IUPAC name of N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide (CID 6385561) is N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide.
What is the SMILES notation for N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide?
The canonical SMILES for N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide is CC(=O)NC1=NC(=O)/C(=C/Cc2cccs2)N1C.
What is the InChIKey of N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide?
The InChIKey is AJCOJTXHSYNPBZ-POHAHGRESA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8(16)13-12-14-11(17)10(15(12)2)6-5-9-4-3-7-18-9/h3-4,6-7H,5H2,1-2H3,(H,13,14,16,17)/b10-6-.
What are the key properties of N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide?
N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide has a molecular weight of 263.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide is sourced from PubChem (CID 6385561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).