N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine

C13H27N3OS — CID 137010948

IUPACN-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine
SMILESCCCN(CC)CC/N=C1/NC(CCOC)CS1
InChIInChI=1S/C13H27N3OS/c1-4-8-16(5-2)9-7-14-13-15-12(11-18-13)6-10-17-3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyAINVQYQZEXWOCU-UHFFFAOYSA-N
MW273.45 g/mol
LogP1.82
Rot. Bonds9

About N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine

N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine (PubChem CID 137010948) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine
PubChem CID137010948
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC NameN-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine
SMILESCCCN(CC)CC/N=C1/NC(CCOC)CS1
InChIInChI=1S/C13H27N3OS/c1-4-8-16(5-2)9-7-14-13-15-12(11-18-13)6-10-17-3/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyAINVQYQZEXWOCU-UHFFFAOYSA-N
XLogP1.82
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
CID 135973739
4-(2-methoxyethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,3-thiazolidin-2-imine
CID 137010916
4-ethyl-N-pentyl-1,3-thiazolidin-2-imine
CID 135934584
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
CID 137010918
N-[2-[(4,6-dimethyl-1,3-thiazinan-2-ylidene)amino]ethyl]-N-ethylpropan-1-amine
CID 136666999
N-(2,2-dimethylcyclopentyl)-4-(2-methoxyethyl)-1,3-thiazolidin-2-imine
CID 137010908
4-(2-methoxyethyl)-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine
CID 137010905
N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137002731
4-benzyl-N-[3-(2-methoxyethoxy)propyl]-1,3-thiazolidin-2-imine
CID 136765013
N-[2-[(4-benzyl-1,3-thiazolidin-2-ylidene)amino]ethyl]-N-ethylcyclopropanamine
CID 136666955
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine (CID 137010948) is N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine is CCCN(CC)CC/N=C1/NC(CCOC)CS1.
What is the InChIKey of N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine?
The InChIKey is AINVQYQZEXWOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-4-8-16(5-2)9-7-14-13-15-12(11-18-13)6-10-17-3/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine?
N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine has a molecular weight of 273.45 g/mol, XLogP of 1.82, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[4-(2-methoxyethyl)-1,3-thiazolidin-2-ylidene]amino]ethyl]propan-1-amine is sourced from PubChem (CID 137010948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).