(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one

C11H13N3O2S — CID 137195334

IUPAC(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@H]1SC(=NN=Cc2ccco2)NC1=O
InChIInChI=1S/C11H13N3O2S/c1-2-4-9-10(15)13-11(17-9)14-12-7-8-5-3-6-16-8/h3,5-7,9H,2,4H2,1H3,(H,13,14,15)/t9-/m1/s1
InChIKeyADRLPVMPPUQSNY-SECBINFHSA-N
MW251.31 g/mol
LogP2.00
Rot. Bonds4

About (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one

(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one (PubChem CID 137195334) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
PubChem CID137195334
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one
SMILESCCC[C@H]1SC(=NN=Cc2ccco2)NC1=O
InChIInChI=1S/C11H13N3O2S/c1-2-4-9-10(15)13-11(17-9)14-12-7-8-5-3-6-16-8/h3,5-7,9H,2,4H2,1H3,(H,13,14,15)/t9-/m1/s1
InChIKeyADRLPVMPPUQSNY-SECBINFHSA-N
XLogP2.00
TPSA66.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.00
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

(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-(2-hydroxyethyl)-1,3-thiazolidin-4-one
CID 135815216
(2Z,5R)-5-[(4-butylphenyl)methyl]-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 136728769
(2E)-2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135798981
2-(furan-2-ylmethylidenehydrazinylidene)-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135455712
(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 135421677
5-[(4-bromophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135465250
(2E)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-5-[(2-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 135439641
(2E)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-[2-(4-methylphenyl)-2-oxoethyl]-1,3-thiazolidin-4-one
CID 135706911
(2Z,5S)-2-[(Z)-furan-2-ylmethylidenehydrazinylidene]-5-propan-2-yl-1,3-thiazolidin-4-one
CID 135850813
(2E,5S)-5-[(2,3-dichlorophenyl)methyl]-2-(furan-2-ylmethylidenehydrazinylidene)-1,3-thiazolidin-4-one
CID 135850176
(2Z)-5-[(3,4-dichlorophenyl)methyl]-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135887063
(2S)-2-[[2-[(2E,5R)-2-(furan-2-ylmethylidenehydrazinylidene)-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]propanoic acid
CID 135816842

Frequently Asked Questions

What is the IUPAC name of (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one?
The IUPAC name of (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one (CID 137195334) is (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one is CCC[C@H]1SC(=NN=Cc2ccco2)NC1=O.
What is the InChIKey of (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one?
The InChIKey is ADRLPVMPPUQSNY-SECBINFHSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-2-4-9-10(15)13-11(17-9)14-12-7-8-5-3-6-16-8/h3,5-7,9H,2,4H2,1H3,(H,13,14,15)/t9-/m1/s1.
What are the key properties of (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one?
(5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one has a molecular weight of 251.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-(furan-2-ylmethylidenehydrazinylidene)-5-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 137195334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).