[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea

C7H9N3S2 — CID 5396200

IUPAC[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
SMILESCc1ccc(/C=N\NC(N)=S)s1
InChIInChI=1S/C7H9N3S2/c1-5-2-3-6(12-5)4-9-10-7(8)11/h2-4H,1H3,(H3,8,10,11)/b9-4-
InChIKeyDQHCYNJJYRJYLA-WTKPLQERSA-N
MW199.30 g/mol
LogP1.22
Rot. Bonds2

About [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea

[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea (PubChem CID 5396200) has the molecular formula C7H9N3S2 and a molecular weight of 199.30 g/mol. Its IUPAC name is [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
PubChem CID5396200
Molecular FormulaC7H9N3S2
Molecular Weight199.30 g/mol
Exact Mass199.02
IUPAC Name[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
SMILESCc1ccc(/C=N\NC(N)=S)s1
InChIInChI=1S/C7H9N3S2/c1-5-2-3-6(12-5)4-9-10-7(8)11/h2-4H,1H3,(H3,8,10,11)/b9-4-
InChIKeyDQHCYNJJYRJYLA-WTKPLQERSA-N
XLogP1.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5363938
1-methyl-3-[(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 5217488
1-(2-methoxyethyl)-3-[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea
CID 6383625
N-[(5-methylthiophen-2-yl)methylideneamino]cyclohexanecarboxamide
CID 922314
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yloxamide
CID 9351587
N-ethyl-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 126008179
2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
N-(4-methylphenyl)-N'-[(Z)-(5-methylthiophen-2-yl)methylideneamino]oxamide
CID 9156025
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5417784
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-4-sulfamoylbenzamide
CID 45109579

Frequently Asked Questions

What is the IUPAC name of [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
The IUPAC name of [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea (CID 5396200) is [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea.
What is the SMILES notation for [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
The canonical SMILES for [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea is Cc1ccc(/C=N\NC(N)=S)s1.
What is the InChIKey of [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
The InChIKey is DQHCYNJJYRJYLA-WTKPLQERSA-N. The full InChI is InChI=1S/C7H9N3S2/c1-5-2-3-6(12-5)4-9-10-7(8)11/h2-4H,1H3,(H3,8,10,11)/b9-4-.
What are the key properties of [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea?
[(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea has a molecular weight of 199.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(5-methylthiophen-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 5396200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).