(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

C13H26N2OS — CID 136949409

IUPAC(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCCCCOCCC/N=C1/N[C@@H](C(C)C)CS1
InChIInChI=1S/C13H26N2OS/c1-4-5-8-16-9-6-7-14-13-15-12(10-17-13)11(2)3/h11-12H,4-10H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyLOETVMGQVZTSKS-GFCCVEGCSA-N
MW258.43 g/mol
LogP2.91
Rot. Bonds8

About (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine

(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136949409) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136949409
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCCCCOCCC/N=C1/N[C@@H](C(C)C)CS1
InChIInChI=1S/C13H26N2OS/c1-4-5-8-16-9-6-7-14-13-15-12(10-17-13)11(2)3/h11-12H,4-10H2,1-3H3,(H,14,15)/t12-/m1/s1
InChIKeyLOETVMGQVZTSKS-GFCCVEGCSA-N
XLogP2.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.91
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-(3-butoxypropyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137002731
N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine
CID 136896920
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871885
N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871888
4-ethyl-N-(3-propoxypropyl)-1,3-thiazinan-2-imine
CID 136933402
4,5-dimethyl-N-[3-(2-methylpropoxy)propyl]-1,3-thiazinan-2-imine
CID 136765003
N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871731
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136908739
N-[3-(2-methoxyethoxy)propyl]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[d][1,3]thiazin-2-imine
CID 136747399
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136690752
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136949409) is (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is CCCCOCCC/N=C1/N[C@@H](C(C)C)CS1.
What is the InChIKey of (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is LOETVMGQVZTSKS-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-4-5-8-16-9-6-7-14-13-15-12(10-17-13)11(2)3/h11-12H,4-10H2,1-3H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine?
(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 258.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136949409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).