(1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine

C8H14N4OS — CID 140862435

IUPAC(1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
SMILES[H]/N=C(N)/N=C1\NC(=O)C(CC(C)C)S1
InChIInChI=1S/C8H14N4OS/c1-4(2)3-5-6(13)11-8(14-5)12-7(9)10/h4-5H,3H2,1-2H3,(H4,9,10,11,12,13)
InChIKeySVRMEHUXVNCRGW-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.51
Rot. Bonds2

About (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine

(1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine (PubChem CID 140862435) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine.

Molecular Properties

Compound Name(1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
PubChem CID140862435
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name(1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
SMILES[H]/N=C(N)/N=C1\NC(=O)C(CC(C)C)S1
InChIInChI=1S/C8H14N4OS/c1-4(2)3-5-6(13)11-8(14-5)12-7(9)10/h4-5H,3H2,1-2H3,(H4,9,10,11,12,13)
InChIKeySVRMEHUXVNCRGW-UHFFFAOYSA-N
XLogP0.51
TPSA91.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine?
The IUPAC name of (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine (CID 140862435) is (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine.
What is the SMILES notation for (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine?
The canonical SMILES for (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine is [H]/N=C(N)/N=C1\NC(=O)C(CC(C)C)S1.
What is the InChIKey of (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine?
The InChIKey is SVRMEHUXVNCRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c1-4(2)3-5-6(13)11-8(14-5)12-7(9)10/h4-5H,3H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine?
(1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine has a molecular weight of 214.29 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[5-(2-methylpropyl)-4-oxo-1,3-thiazolidin-2-ylidene]guanidine is sourced from PubChem (CID 140862435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).