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

C9H18N2S — CID 67281104

IUPAC(4S,5R)-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+/m0/s1
InChIKeyZYJVMHVQCGRHBT-UFPBWDQISA-N
MW186.32 g/mol
LogP2.55
Rot. Bonds3

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

(4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine (PubChem CID 67281104) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is (4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name(4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine
PubChem CID67281104
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name(4S,5R)-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+/m0/s1
InChIKeyZYJVMHVQCGRHBT-UFPBWDQISA-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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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine?
The IUPAC name of (4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine (CID 67281104) is (4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine.
What is the SMILES notation for (4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine?
The canonical SMILES for (4S,5R)-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 (4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine?
The InChIKey is ZYJVMHVQCGRHBT-UFPBWDQISA-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+/m0/s1.
What are the key properties of (4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine?
(4S,5R)-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 (4S,5R)-3-butyl-4,5-dimethyl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 67281104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).