(4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine

C9H18N2S — CID 67281105

IUPAC(4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\S[C@@H](C)[C@@H](C)N1CCCC
InChIInChI=1S/C9H18N2S/c1-4-5-6-11-7(2)8(3)12-9(11)10/h7-8,10H,4-6H2,1-3H3/b10-9-/t7-,8+/m1/s1
InChIKeyZYJVMHVQCGRHBT-TWEHFBLQSA-N
MW186.32 g/mol
LogP2.55
Rot. Bonds3

About (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine

(4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 67281105) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine
PubChem CID67281105
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\S[C@@H](C)[C@@H](C)N1CCCC
InChIInChI=1S/C9H18N2S/c1-4-5-6-11-7(2)8(3)12-9(11)10/h7-8,10H,4-6H2,1-3H3/b10-9-/t7-,8+/m1/s1
InChIKeyZYJVMHVQCGRHBT-TWEHFBLQSA-N
XLogP2.55
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Propyl-1,3-thiazolidin-2-imine;hydrobromide
CID 90654238
butyl N,N-dibutylcarbamimidothioate;hydrobromide
CID 111600
3-Propylthiazolidin-2-imine
CID 45087999
3-Ethyl-5-methylthiazolidin-2-imine
CID 3694509
butyl N,N-dipropylcarbamimidothioate
CID 20285057
ethyl N-butyl-N-propylcarbamimidothioate
CID 20285063
2-Imino-3-n-butylthiazolidine
CID 21475745
2-Imino-3-n-butylthiazolidine hydroiodide
CID 21475767
3-Pyrrolidin-1-ylpropyl carbamimidothioate
CID 24844042
3,4-Dimethyl-5-propan-2-yl-1,3-thiazolidin-2-imine
CID 53668071
[(2S)-1-methylpyrrolidin-2-yl]methyl carbamimidothioate
CID 56638525
3-Butyl-5,5-dimethylthiazolidin-2-imine
CID 66643111

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine (CID 67281105) is (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine is [H]/N=C1\S[C@@H](C)[C@@H](C)N1CCCC.
What is the InChIKey of (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is ZYJVMHVQCGRHBT-TWEHFBLQSA-N. The full InChI is InChI=1S/C9H18N2S/c1-4-5-6-11-7(2)8(3)12-9(11)10/h7-8,10H,4-6H2,1-3H3/b10-9-/t7-,8+/m1/s1.
What are the key properties of (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine?
(4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine has a molecular weight of 186.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 67281105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).