(6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile

C25H30N2S2 — CID 21300938

IUPAC(6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile
SMILESN#CCCCC/C(CCCCSc1ccccc1)=C1/SCCN1c1ccccc1
InChIInChI=1S/C25H30N2S2/c26-18-10-3-4-12-22(13-9-11-20-28-24-16-7-2-8-17-24)25-27(19-21-29-25)23-14-5-1-6-15-23/h1-2,5-8,14-17H,3-4,9-13,19-21H2/b25-22-
InChIKeyQWVQLRUGMSFXNH-LVWGJNHUSA-N
MW422.66 g/mol
LogP7.50
Rot. Bonds11

About (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile

(6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile (PubChem CID 21300938) has the molecular formula C25H30N2S2 and a molecular weight of 422.66 g/mol. Its IUPAC name is (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile.

Molecular Properties

Compound Name(6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile
PubChem CID21300938
Molecular FormulaC25H30N2S2
Molecular Weight422.66 g/mol
Exact Mass422.19
IUPAC Name(6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile
SMILESN#CCCCC/C(CCCCSc1ccccc1)=C1/SCCN1c1ccccc1
InChIInChI=1S/C25H30N2S2/c26-18-10-3-4-12-22(13-9-11-20-28-24-16-7-2-8-17-24)25-27(19-21-29-25)23-14-5-1-6-15-23/h1-2,5-8,14-17H,3-4,9-13,19-21H2/b25-22-
InChIKeyQWVQLRUGMSFXNH-LVWGJNHUSA-N
XLogP7.50
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile?
The IUPAC name of (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile (CID 21300938) is (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile.
What is the SMILES notation for (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile?
The canonical SMILES for (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile is N#CCCCC/C(CCCCSc1ccccc1)=C1/SCCN1c1ccccc1.
What is the InChIKey of (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile?
The InChIKey is QWVQLRUGMSFXNH-LVWGJNHUSA-N. The full InChI is InChI=1S/C25H30N2S2/c26-18-10-3-4-12-22(13-9-11-20-28-24-16-7-2-8-17-24)25-27(19-21-29-25)23-14-5-1-6-15-23/h1-2,5-8,14-17H,3-4,9-13,19-21H2/b25-22-.
What are the key properties of (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile?
(6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile has a molecular weight of 422.66 g/mol, XLogP of 7.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-10-phenylsulfanyl-6-(3-phenyl-1,3-thiazolidin-2-ylidene)decanenitrile is sourced from PubChem (CID 21300938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).