(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one

C13H10N4OS2 — CID 135519071

IUPAC(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one
SMILESO=C1NC(N/N=C/c2cccs2)=N/C1=C\c1cccs1
InChIInChI=1S/C13H10N4OS2/c18-12-11(7-9-3-1-5-19-9)15-13(16-12)17-14-8-10-4-2-6-20-10/h1-8H,(H2,15,16,17,18)/b11-7-,14-8+
InChIKeyDMJOSBZZJQXAJZ-WIFBXHMDSA-N
MW302.38 g/mol
LogP2.26
Rot. Bonds3

About (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one

(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one (PubChem CID 135519071) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one
PubChem CID135519071
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC Name(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one
SMILESO=C1NC(N/N=C/c2cccs2)=N/C1=C\c1cccs1
InChIInChI=1S/C13H10N4OS2/c18-12-11(7-9-3-1-5-19-9)15-13(16-12)17-14-8-10-4-2-6-20-10/h1-8H,(H2,15,16,17,18)/b11-7-,14-8+
InChIKeyDMJOSBZZJQXAJZ-WIFBXHMDSA-N
XLogP2.26
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135426635
(4E)-4-benzylidene-2-[(2Z)-2-benzylidenehydrazinyl]-1H-imidazol-5-one
CID 135505119
(4E)-2-benzyl-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893155
6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135539351
N-(thiophen-2-ylmethylideneamino)formamide
CID 4188551
2-(2-chloro-5-iodophenyl)-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 135539324
2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
CID 6260448
(4E)-2-[(3,4-dimethoxyphenyl)methyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one
CID 136893159
(4Z)-2-methyl-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 139087233
4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one
CID 175714790
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one (CID 135519071) is (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one is O=C1NC(N/N=C/c2cccs2)=N/C1=C\c1cccs1.
What is the InChIKey of (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one?
The InChIKey is DMJOSBZZJQXAJZ-WIFBXHMDSA-N. The full InChI is InChI=1S/C13H10N4OS2/c18-12-11(7-9-3-1-5-19-9)15-13(16-12)17-14-8-10-4-2-6-20-10/h1-8H,(H2,15,16,17,18)/b11-7-,14-8+.
What are the key properties of (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one?
(4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one has a molecular weight of 302.38 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(thiophen-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one is sourced from PubChem (CID 135519071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).