N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

C11H16N2OS — CID 136871639

IUPACN-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\Cc2ccco2)N1
InChIInChI=1S/C11H16N2OS/c1-8(2)10-7-15-11(13-10)12-6-9-4-3-5-14-9/h3-5,8,10H,6-7H2,1-2H3,(H,12,13)
InChIKeyWVZBNQDQLNVQEE-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.50
Rot. Bonds3

About N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136871639) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136871639
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\Cc2ccco2)N1
InChIInChI=1S/C11H16N2OS/c1-8(2)10-7-15-11(13-10)12-6-9-4-3-5-14-9/h3-5,8,10H,6-7H2,1-2H3,(H,12,13)
InChIKeyWVZBNQDQLNVQEE-UHFFFAOYSA-N
XLogP2.50
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136690752
N-(furan-2-ylmethyl)-2,5-dimethylcyclopentan-1-imine
CID 21317040
N-[2-(furan-2-yl)ethyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746989
2-(furan-2-ylmethylimino)-5,5-dimethyl-1,3-thiazolidin-4-one
CID 137292355
4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine
CID 136871850
N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine
CID 136896920
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
N-[1-(furan-2-yl)propan-2-yl]-4,4-dimethyl-1,3-thiazinan-2-imine
CID 136992147
N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848243
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993437
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136871639) is N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)C1CS/C(=N\Cc2ccco2)N1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is WVZBNQDQLNVQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8(2)10-7-15-11(13-10)12-6-9-4-3-5-14-9/h3-5,8,10H,6-7H2,1-2H3,(H,12,13).
What are the key properties of N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 224.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).