5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate

C19H32N4S2 — CID 25178567

IUPAC5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate
SMILESCCCCCC/N=C(/NC1CCCCC1)SCC1=CSC2=NCCN12
InChIInChI=1S/C19H32N4S2/c1-2-3-4-8-11-20-18(22-16-9-6-5-7-10-16)24-14-17-15-25-19-21-12-13-23(17)19/h15-16H,2-14H2,1H3,(H,20,22)
InChIKeyWCAVHXBYHAXEAP-UHFFFAOYSA-N
MW380.63 g/mol
LogP4.84
Rot. Bonds8

About 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate (PubChem CID 25178567) has the molecular formula C19H32N4S2 and a molecular weight of 380.63 g/mol. Its IUPAC name is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate.

Molecular Properties

Compound Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate
PubChem CID25178567
Molecular FormulaC19H32N4S2
Molecular Weight380.63 g/mol
Exact Mass380.21
IUPAC Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate
SMILESCCCCCC/N=C(/NC1CCCCC1)SCC1=CSC2=NCCN12
InChIInChI=1S/C19H32N4S2/c1-2-3-4-8-11-20-18(22-16-9-6-5-7-10-16)24-14-17-15-25-19-21-12-13-23(17)19/h15-16H,2-14H2,1H3,(H,20,22)
InChIKeyWCAVHXBYHAXEAP-UHFFFAOYSA-N
XLogP4.84
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate?
The IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate (CID 25178567) is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate.
What is the SMILES notation for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate?
The canonical SMILES for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate is CCCCCC/N=C(/NC1CCCCC1)SCC1=CSC2=NCCN12.
What is the InChIKey of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate?
The InChIKey is WCAVHXBYHAXEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4S2/c1-2-3-4-8-11-20-18(22-16-9-6-5-7-10-16)24-14-17-15-25-19-21-12-13-23(17)19/h15-16H,2-14H2,1H3,(H,20,22).
What are the key properties of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate?
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate has a molecular weight of 380.63 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N-cyclohexyl-N'-hexylcarbamimidothioate is sourced from PubChem (CID 25178567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).