N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine

C17H25N3S — CID 136666955

IUPACN-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine
SMILESCCN(CC/N=C1/NC(Cc2ccccc2)CS1)C1CC1
InChIInChI=1S/C17H25N3S/c1-2-20(16-8-9-16)11-10-18-17-19-15(13-21-17)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H,18,19)
InChIKeyDUCLNHYLTJRNIP-UHFFFAOYSA-N
MW303.47 g/mol
LogP2.77
Rot. Bonds7

About N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine

N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine (PubChem CID 136666955) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine
PubChem CID136666955
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine
SMILESCCN(CC/N=C1/NC(Cc2ccccc2)CS1)C1CC1
InChIInChI=1S/C17H25N3S/c1-2-20(16-8-9-16)11-10-18-17-19-15(13-21-17)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H,18,19)
InChIKeyDUCLNHYLTJRNIP-UHFFFAOYSA-N
XLogP2.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine?
The IUPAC name of N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine (CID 136666955) is N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine.
What is the SMILES notation for N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine?
The canonical SMILES for N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine is CCN(CC/N=C1/NC(Cc2ccccc2)CS1)C1CC1.
What is the InChIKey of N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine?
The InChIKey is DUCLNHYLTJRNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-2-20(16-8-9-16)11-10-18-17-19-15(13-21-17)12-14-6-4-3-5-7-14/h3-7,15-16H,2,8-13H2,1H3,(H,18,19).
What are the key properties of N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine?
N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine has a molecular weight of 303.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine is sourced from PubChem (CID 136666955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).