2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)

C12H11NSY2-2 — CID 59400358

IUPAC2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)
SMILESCC(C)c1[c-]nc(-c2cc[c-]cc2)s1.[Y].[Y]
InChIInChI=1S/C12H11NS.2Y/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;;/h4-7,9H,1-2H3;;/q-2;;
InChIKeyYMZSZFQSIIMDMJ-UHFFFAOYSA-N
MW379.11 g/mol
LogP3.53
Rot. Bonds2

About 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)

2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium) (PubChem CID 59400358) has the molecular formula C12H11NSY2-2 and a molecular weight of 379.11 g/mol. Its IUPAC name is 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium).

Molecular Properties

Compound Name2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)
PubChem CID59400358
Molecular FormulaC12H11NSY2-2
Molecular Weight379.11 g/mol
Exact Mass378.87
IUPAC Name2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)
SMILESCC(C)c1[c-]nc(-c2cc[c-]cc2)s1.[Y].[Y]
InChIInChI=1S/C12H11NS.2Y/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;;/h4-7,9H,1-2H3;;/q-2;;
InChIKeyYMZSZFQSIIMDMJ-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.11
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
CID 129225415
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 143900807
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030
5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 144840803
N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
CID 153342683
(3Z)-3-ethylidene-5-methyl-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 168913675
N-ethyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
CID 169902110
(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981535
(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718093
N-ethyl-5-methyl-3-propan-2-ylidenethiophen-2-imine
CID 170593188

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)?
The IUPAC name of 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium) (CID 59400358) is 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium).
What is the SMILES notation for 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)?
The canonical SMILES for 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium) is CC(C)c1[c-]nc(-c2cc[c-]cc2)s1.[Y].[Y].
What is the InChIKey of 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)?
The InChIKey is YMZSZFQSIIMDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS.2Y/c1-9(2)11-8-13-12(14-11)10-6-4-3-5-7-10;;/h4-7,9H,1-2H3;;/q-2;;.
What are the key properties of 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)?
2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium) has a molecular weight of 379.11 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium) is sourced from PubChem (CID 59400358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).