N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

C13H24N2OS — CID 137017282

IUPACN-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CCOCC2CC2)N1
InChIInChI=1S/C13H24N2OS/c1-10(2)7-12-9-17-13(15-12)14-5-6-16-8-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyDUVQGOFITRCARN-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.52
Rot. Bonds7

About N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine

N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (PubChem CID 137017282) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
PubChem CID137017282
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
SMILESCC(C)CC1CS/C(=N\CCOCC2CC2)N1
InChIInChI=1S/C13H24N2OS/c1-10(2)7-12-9-17-13(15-12)14-5-6-16-8-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyDUVQGOFITRCARN-UHFFFAOYSA-N
XLogP2.52
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
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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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136952014
N-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137002731
N-(2-ethylsulfinylethyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136933149
N-[3-(cyclopropylmethoxy)propyl]-4-ethyl-1,3-thiazinan-2-imine
CID 137017283
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137000560
4-(2-methylpropyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazolidin-2-imine
CID 136993116
N-[2-(3-methylbutoxy)ethyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136993499
4-ethyl-N-(7-methyloctyl)-1,3-thiazolidin-2-imine
CID 136701829
4-ethyl-N-(4-methoxybutyl)-1,3-thiazolidin-2-imine
CID 135973739
3-methylbutoxymethylcyclopropane
CID 58970607
(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949409
4-ethyl-N-[(3-methylcyclopentyl)methyl]-1,3-thiazolidin-2-imine
CID 136867396

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine (CID 137017282) is N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is CC(C)CC1CS/C(=N\CCOCC2CC2)N1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
The InChIKey is DUVQGOFITRCARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10(2)7-12-9-17-13(15-12)14-5-6-16-8-11-3-4-11/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine?
N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine has a molecular weight of 256.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine is sourced from PubChem (CID 137017282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).