5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide

C9H17N3OS — CID 136805725

IUPAC5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide
SMILESCC1CS/C(=N\CCCCC(N)=O)N1
InChIInChI=1S/C9H17N3OS/c1-7-6-14-9(12-7)11-5-3-2-4-8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,12)
InChIKeyMSOYHFSPFZZBJH-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.72
Rot. Bonds5

About 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide

5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide (PubChem CID 136805725) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide.

Molecular Properties

Compound Name5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide
PubChem CID136805725
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide
SMILESCC1CS/C(=N\CCCCC(N)=O)N1
InChIInChI=1S/C9H17N3OS/c1-7-6-14-9(12-7)11-5-3-2-4-8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,12)
InChIKeyMSOYHFSPFZZBJH-UHFFFAOYSA-N
XLogP0.72
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide?
The IUPAC name of 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide (CID 136805725) is 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide.
What is the SMILES notation for 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide?
The canonical SMILES for 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide is CC1CS/C(=N\CCCCC(N)=O)N1.
What is the InChIKey of 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide?
The InChIKey is MSOYHFSPFZZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-7-6-14-9(12-7)11-5-3-2-4-8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,12).
What are the key properties of 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide?
5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide has a molecular weight of 215.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]pentanamide is sourced from PubChem (CID 136805725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).