[(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea

C8H13N3S — CID 6368649

IUPAC[(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea
SMILESCC1=C/C(=N\NC(N)=S)C(C)C1
InChIInChI=1S/C8H13N3S/c1-5-3-6(2)7(4-5)10-11-8(9)12/h4,6H,3H2,1-2H3,(H3,9,11,12)/b10-7+
InChIKeyULAHOYMEMDVSSB-JXMROGBWSA-N
MW183.28 g/mol
LogP1.16
Rot. Bonds1

About [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea

[(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea (PubChem CID 6368649) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea.

Molecular Properties

Compound Name[(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea
PubChem CID6368649
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name[(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea
SMILESCC1=C/C(=N\NC(N)=S)C(C)C1
InChIInChI=1S/C8H13N3S/c1-5-3-6(2)7(4-5)10-11-8(9)12/h4,6H,3H2,1-2H3,(H3,9,11,12)/b10-7+
InChIKeyULAHOYMEMDVSSB-JXMROGBWSA-N
XLogP1.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea?
The IUPAC name of [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea (CID 6368649) is [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea.
What is the SMILES notation for [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea?
The canonical SMILES for [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea is CC1=C/C(=N\NC(N)=S)C(C)C1.
What is the InChIKey of [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea?
The InChIKey is ULAHOYMEMDVSSB-JXMROGBWSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5-3-6(2)7(4-5)10-11-8(9)12/h4,6H,3H2,1-2H3,(H3,9,11,12)/b10-7+.
What are the key properties of [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea?
[(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea has a molecular weight of 183.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3,5-dimethylcyclopent-2-en-1-ylidene)amino]thiourea is sourced from PubChem (CID 6368649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).