3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

C15H24N4S2 — CID 155166522

IUPAC3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CCCSC3=NCC(C)(C)N3)=CSC2=N1
InChIInChI=1S/C15H24N4S2/c1-14(2)9-16-12(17-14)20-7-5-6-11-8-21-13-18-15(3,4)10-19(11)13/h8H,5-7,9-10H2,1-4H3,(H,16,17)
InChIKeyWFWLDTSCLAIPNG-UHFFFAOYSA-N
MW324.52 g/mol
LogP3.28
Rot. Bonds4

About 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole

3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (PubChem CID 155166522) has the molecular formula C15H24N4S2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
PubChem CID155166522
Molecular FormulaC15H24N4S2
Molecular Weight324.52 g/mol
Exact Mass324.14
IUPAC Name3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)CN2C(CCCSC3=NCC(C)(C)N3)=CSC2=N1
InChIInChI=1S/C15H24N4S2/c1-14(2)9-16-12(17-14)20-7-5-6-11-8-21-13-18-15(3,4)10-19(11)13/h8H,5-7,9-10H2,1-4H3,(H,16,17)
InChIKeyWFWLDTSCLAIPNG-UHFFFAOYSA-N
XLogP3.28
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole (CID 155166522) is 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is CC1(C)CN2C(CCCSC3=NCC(C)(C)N3)=CSC2=N1.
What is the InChIKey of 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
The InChIKey is WFWLDTSCLAIPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S2/c1-14(2)9-16-12(17-14)20-7-5-6-11-8-21-13-18-15(3,4)10-19(11)13/h8H,5-7,9-10H2,1-4H3,(H,16,17).
What are the key properties of 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole?
3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 324.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanyl]propyl]-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155166522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).