3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C13H20N4S2 — CID 155166525

IUPAC3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCCC1CN=C(SCC2=CSC3=NCCN23)N1
InChIInChI=1S/C13H20N4S2/c1-2-3-4-10-7-15-12(16-10)18-8-11-9-19-13-14-5-6-17(11)13/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeySPZPNQODKOFEFO-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.50
Rot. Bonds5

About 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 155166525) has the molecular formula C13H20N4S2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID155166525
Molecular FormulaC13H20N4S2
Molecular Weight296.46 g/mol
Exact Mass296.11
IUPAC Name3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCCCCC1CN=C(SCC2=CSC3=NCCN23)N1
InChIInChI=1S/C13H20N4S2/c1-2-3-4-10-7-15-12(16-10)18-8-11-9-19-13-14-5-6-17(11)13/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeySPZPNQODKOFEFO-UHFFFAOYSA-N
XLogP2.50
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 155166525) is 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CCCCC1CN=C(SCC2=CSC3=NCCN23)N1.
What is the InChIKey of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is SPZPNQODKOFEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S2/c1-2-3-4-10-7-15-12(16-10)18-8-11-9-19-13-14-5-6-17(11)13/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 296.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-butyl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155166525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).