[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea

C6H8N4S2 — CID 119093932

IUPAC[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea
SMILESCc1csc(/C=N/NC(N)=S)n1
InChIInChI=1S/C6H8N4S2/c1-4-3-12-5(9-4)2-8-10-6(7)11/h2-3H,1H3,(H3,7,10,11)/b8-2+
InChIKeyGYNUKLGFHARQAA-KRXBUXKQSA-N
MW200.29 g/mol
LogP0.62
Rot. Bonds2

About [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea

[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea (PubChem CID 119093932) has the molecular formula C6H8N4S2 and a molecular weight of 200.29 g/mol. Its IUPAC name is [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea
PubChem CID119093932
Molecular FormulaC6H8N4S2
Molecular Weight200.29 g/mol
Exact Mass200.02
IUPAC Name[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea
SMILESCc1csc(/C=N/NC(N)=S)n1
InChIInChI=1S/C6H8N4S2/c1-4-3-12-5(9-4)2-8-10-6(7)11/h2-3H,1H3,(H3,7,10,11)/b8-2+
InChIKeyGYNUKLGFHARQAA-KRXBUXKQSA-N
XLogP0.62
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea?
The IUPAC name of [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea (CID 119093932) is [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea.
What is the SMILES notation for [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea?
The canonical SMILES for [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea is Cc1csc(/C=N/NC(N)=S)n1.
What is the InChIKey of [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea?
The InChIKey is GYNUKLGFHARQAA-KRXBUXKQSA-N. The full InChI is InChI=1S/C6H8N4S2/c1-4-3-12-5(9-4)2-8-10-6(7)11/h2-3H,1H3,(H3,7,10,11)/b8-2+.
What are the key properties of [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea?
[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea has a molecular weight of 200.29 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea is sourced from PubChem (CID 119093932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).