2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine

C6H11N3S — CID 138705007

IUPAC2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine
SMILESC1=NCC(C2NCCS2)N1
InChIInChI=1S/C6H11N3S/c1-2-10-6(8-1)5-3-7-4-9-5/h4-6,8H,1-3H2,(H,7,9)
InChIKeyVZCATMHHCQJLLA-UHFFFAOYSA-N
MW157.24 g/mol
LogP-0.35
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine

2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine (PubChem CID 138705007) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine
PubChem CID138705007
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine
SMILESC1=NCC(C2NCCS2)N1
InChIInChI=1S/C6H11N3S/c1-2-10-6(8-1)5-3-7-4-9-5/h4-6,8H,1-3H2,(H,7,9)
InChIKeyVZCATMHHCQJLLA-UHFFFAOYSA-N
XLogP-0.35
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine (CID 138705007) is 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine is C1=NCC(C2NCCS2)N1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine?
The InChIKey is VZCATMHHCQJLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-2-10-6(8-1)5-3-7-4-9-5/h4-6,8H,1-3H2,(H,7,9).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine?
2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine has a molecular weight of 157.24 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-5-yl)-1,3-thiazolidine is sourced from PubChem (CID 138705007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).