N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine

C11H17N3OS — CID 136871735

IUPACN-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCc1cc(C/N=C2/NC(C(C)C)CS2)no1
InChIInChI=1S/C11H17N3OS/c1-7(2)10-6-16-11(13-10)12-5-9-4-8(3)15-14-9/h4,7,10H,5-6H2,1-3H3,(H,12,13)
InChIKeyUSCKJARGCAUEMI-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.20
Rot. Bonds3

About N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136871735) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136871735
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCc1cc(C/N=C2/NC(C(C)C)CS2)no1
InChIInChI=1S/C11H17N3OS/c1-7(2)10-6-16-11(13-10)12-5-9-4-8(3)15-14-9/h4,7,10H,5-6H2,1-3H3,(H,12,13)
InChIKeyUSCKJARGCAUEMI-UHFFFAOYSA-N
XLogP2.20
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine with MolForge

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871812
4,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136984957
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136908739
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949409
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993350
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848336
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136762665
N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871885
N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871731
1-cyclopropyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
CID 83826909
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871806

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136871735) is N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine is Cc1cc(C/N=C2/NC(C(C)C)CS2)no1.
What is the InChIKey of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is USCKJARGCAUEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)10-6-16-11(13-10)12-5-9-4-8(3)15-14-9/h4,7,10H,5-6H2,1-3H3,(H,12,13).
What are the key properties of N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 239.34 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).