[(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea

C11H10N4O2S — CID 98542255

IUPAC[(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea
SMILESNC(=S)N/N=C1\C(=O)NC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C11H10N4O2S/c12-11(18)15-14-8-7(9(16)13-10(8)17)6-4-2-1-3-5-6/h1-5,7H,(H3,12,15,18)(H,13,16,17)/b14-8-/t7-/m1/s1
InChIKeyLGOSUCDNYGFMDD-GIJHHBAFSA-N
MW262.29 g/mol
LogP-0.38
Rot. Bonds2

About [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea

[(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea (PubChem CID 98542255) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea
PubChem CID98542255
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name[(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea
SMILESNC(=S)N/N=C1\C(=O)NC(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C11H10N4O2S/c12-11(18)15-14-8-7(9(16)13-10(8)17)6-4-2-1-3-5-6/h1-5,7H,(H3,12,15,18)(H,13,16,17)/b14-8-/t7-/m1/s1
InChIKeyLGOSUCDNYGFMDD-GIJHHBAFSA-N
XLogP-0.38
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
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': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea?
The IUPAC name of [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea (CID 98542255) is [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea is NC(=S)N/N=C1\C(=O)NC(=O)[C@@H]1c1ccccc1.
What is the InChIKey of [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea?
The InChIKey is LGOSUCDNYGFMDD-GIJHHBAFSA-N. The full InChI is InChI=1S/C11H10N4O2S/c12-11(18)15-14-8-7(9(16)13-10(8)17)6-4-2-1-3-5-6/h1-5,7H,(H3,12,15,18)(H,13,16,17)/b14-8-/t7-/m1/s1.
What are the key properties of [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea?
[(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea has a molecular weight of 262.29 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(4R)-2,5-dioxo-4-phenylpyrrolidin-3-ylidene]amino]thiourea is sourced from PubChem (CID 98542255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).