(2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

C10H13N3OS2 — CID 162666134

IUPAC(2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1csc(/N=C2\NC(=O)CS2)n1
InChIInChI=1S/C10H13N3OS2/c1-10(2,3)6-4-15-8(11-6)13-9-12-7(14)5-16-9/h4H,5H2,1-3H3,(H,11,12,13,14)
InChIKeyXQXAXOFZDCQFGC-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.29
Rot. Bonds1

About (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one

(2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (PubChem CID 162666134) has the molecular formula C10H13N3OS2 and a molecular weight of 255.37 g/mol. Its IUPAC name is (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
PubChem CID162666134
Molecular FormulaC10H13N3OS2
Molecular Weight255.37 g/mol
Exact Mass255.05
IUPAC Name(2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1csc(/N=C2\NC(=O)CS2)n1
InChIInChI=1S/C10H13N3OS2/c1-10(2,3)6-4-15-8(11-6)13-9-12-7(14)5-16-9/h4H,5H2,1-3H3,(H,11,12,13,14)
InChIKeyXQXAXOFZDCQFGC-UHFFFAOYSA-N
XLogP2.29
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one (CID 162666134) is (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is CC(C)(C)c1csc(/N=C2\NC(=O)CS2)n1.
What is the InChIKey of (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
The InChIKey is XQXAXOFZDCQFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS2/c1-10(2,3)6-4-15-8(11-6)13-9-12-7(14)5-16-9/h4H,5H2,1-3H3,(H,11,12,13,14).
What are the key properties of (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one?
(2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one has a molecular weight of 255.37 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-tert-butyl-1,3-thiazol-2-yl)imino]-1,3-thiazolidin-4-one is sourced from PubChem (CID 162666134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).