2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C14H17N3O2S — CID 168576135

IUPAC2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC(C)Oc1ccccc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C14H17N3O2S/c1-3-10(2)19-12-7-5-4-6-11(12)8-15-17-14-16-13(18)9-20-14/h4-8,10H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyLCIQDRJBOJRDPK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.42
Rot. Bonds5

About 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576135) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576135
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCCC(C)Oc1ccccc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C14H17N3O2S/c1-3-10(2)19-12-7-5-4-6-11(12)8-15-17-14-16-13(18)9-20-14/h4-8,10H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyLCIQDRJBOJRDPK-UHFFFAOYSA-N
XLogP2.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(butan-2-yloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574231
(2E)-2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135634727
(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135558880
(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
2-[[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574748
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573992
2-[[2-(4-tert-butylphenoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575355
2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574571
2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135641769
(2Z)-2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135528391
2-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576207
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575792

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576135) is 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is CCC(C)Oc1ccccc1C=NN=C1NC(=O)CS1.
What is the InChIKey of 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is LCIQDRJBOJRDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-10(2)19-12-7-5-4-6-11(12)8-15-17-14-16-13(18)9-20-14/h4-8,10H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 291.38 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).