(4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

C12H13N3O2S — CID 135493955

IUPAC(4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(N2CCOCC2)=N/C1=C\c1cccs1
InChIInChI=1S/C12H13N3O2S/c16-11-10(8-9-2-1-7-18-9)13-12(14-11)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2,(H,13,14,16)/b10-8-
InChIKeyOELMVZUPDJYSLN-NTMALXAHSA-N
MW263.32 g/mol
LogP0.91
Rot. Bonds1

About (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one

(4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (PubChem CID 135493955) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
PubChem CID135493955
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name(4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
SMILESO=C1NC(N2CCOCC2)=N/C1=C\c1cccs1
InChIInChI=1S/C12H13N3O2S/c16-11-10(8-9-2-1-7-18-9)13-12(14-11)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2,(H,13,14,16)/b10-8-
InChIKeyOELMVZUPDJYSLN-NTMALXAHSA-N
XLogP0.91
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-2-(morpholin-4-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 691379
2-(4-morpholinyl)-5-(2-thienylmethylene)-1,3-thiazol-4(5H)-one
CID 691378
(4Z)-2-piperazin-1-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136273060
N-[(5E)-1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 5716781
(5Z)-2-methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one
CID 5469483
N-[1-methyl-4-oxo-5-(thiophen-2-ylmethylidene)imidazol-2-yl]acetamide
CID 2826150
3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone
CID 5469471
2-(1-Piperidinyl)-5-(2-thienylmethylene)-3,5-dihydro-4H-imidazol-4-one
CID 135493936
N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
CID 6385561
2-Morpholin-4-yl-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 2844984
(5Z)-3-(2-methoxyethyl)-2-methyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 71244099
(5Z)-3-(2-methoxyethyl)-2-methylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
CID 123159673

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one (CID 135493955) is (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is O=C1NC(N2CCOCC2)=N/C1=C\c1cccs1.
What is the InChIKey of (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
The InChIKey is OELMVZUPDJYSLN-NTMALXAHSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-11-10(8-9-2-1-7-18-9)13-12(14-11)15-3-5-17-6-4-15/h1-2,7-8H,3-6H2,(H,13,14,16)/b10-8-.
What are the key properties of (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one?
(4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one has a molecular weight of 263.32 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-morpholin-4-yl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one is sourced from PubChem (CID 135493955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).