(4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one

C9H9N3OS — CID 136693777

IUPAC(4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one
SMILESCc1ccc(/C=C2\N=C(N)NC2=O)s1
InChIInChI=1S/C9H9N3OS/c1-5-2-3-6(14-5)4-7-8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13)/b7-4-
InChIKeyQUQVRWCMJBDJDW-DAXSKMNVSA-N
MW207.26 g/mol
LogP0.84
Rot. Bonds1

About (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one

(4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one (PubChem CID 136693777) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one
PubChem CID136693777
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name(4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one
SMILESCc1ccc(/C=C2\N=C(N)NC2=O)s1
InChIInChI=1S/C9H9N3OS/c1-5-2-3-6(14-5)4-7-8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13)/b7-4-
InChIKeyQUQVRWCMJBDJDW-DAXSKMNVSA-N
XLogP0.84
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
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
CID 145924198
CID 145924198
(5Z)-2-imino-1-methyl-5-[(3-methylthiophen-2-yl)methylidene]imidazolidin-4-one
CID 750610
5-[(5-Methyl-2-thienyl)methylene]-2-thioxo-4-imidazolidinone
CID 876202
N-[(5Z)-1-methyl-4-oxo-5-(2-thiophen-2-ylethylidene)imidazol-2-yl]acetamide
CID 6385561
(5Z)-5-[(5-bromothiophen-2-yl)methylidene]-2-imino-1-methylimidazolidin-4-one
CID 19577206

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one (CID 136693777) is (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one is Cc1ccc(/C=C2\N=C(N)NC2=O)s1.
What is the InChIKey of (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one?
The InChIKey is QUQVRWCMJBDJDW-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-5-2-3-6(14-5)4-7-8(13)12-9(10)11-7/h2-4H,1H3,(H3,10,11,12,13)/b7-4-.
What are the key properties of (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one?
(4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one has a molecular weight of 207.26 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-amino-4-[(5-methylthiophen-2-yl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136693777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).