3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine

C11H21N3S2 — CID 175466737

IUPAC3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
SMILESCCCCC1CN=C(SCN2CCSC2)N1
InChIInChI=1S/C11H21N3S2/c1-2-3-4-10-7-12-11(13-10)16-9-14-5-6-15-8-14/h10H,2-9H2,1H3,(H,12,13)
InChIKeyYRIFBMDPMUVVST-UHFFFAOYSA-N
MW259.44 g/mol
LogP2.20
Rot. Bonds5

About 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine

3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine (PubChem CID 175466737) has the molecular formula C11H21N3S2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine.

Molecular Properties

Compound Name3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
PubChem CID175466737
Molecular FormulaC11H21N3S2
Molecular Weight259.44 g/mol
Exact Mass259.12
IUPAC Name3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine
SMILESCCCCC1CN=C(SCN2CCSC2)N1
InChIInChI=1S/C11H21N3S2/c1-2-3-4-10-7-12-11(13-10)16-9-14-5-6-15-8-14/h10H,2-9H2,1H3,(H,12,13)
InChIKeyYRIFBMDPMUVVST-UHFFFAOYSA-N
XLogP2.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine?
The IUPAC name of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine (CID 175466737) is 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine.
What is the SMILES notation for 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine?
The canonical SMILES for 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine is CCCCC1CN=C(SCN2CCSC2)N1.
What is the InChIKey of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine?
The InChIKey is YRIFBMDPMUVVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S2/c1-2-3-4-10-7-12-11(13-10)16-9-14-5-6-15-8-14/h10H,2-9H2,1H3,(H,12,13).
What are the key properties of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine?
3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine has a molecular weight of 259.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-1,3-thiazolidine is sourced from PubChem (CID 175466737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).