5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate

C13H22N4S2 — CID 25178561

IUPAC5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate
SMILESCC(C)/N=C(\NC(C)C)SCC1=CSC2=NCCN12
InChIInChI=1S/C13H22N4S2/c1-9(2)15-12(16-10(3)4)18-7-11-8-19-13-14-5-6-17(11)13/h8-10H,5-7H2,1-4H3,(H,15,16)
InChIKeyZHKQNUINSKINOU-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.74
Rot. Bonds4

About 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate

5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate (PubChem CID 25178561) has the molecular formula C13H22N4S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate.

Molecular Properties

Compound Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate
PubChem CID25178561
Molecular FormulaC13H22N4S2
Molecular Weight298.48 g/mol
Exact Mass298.13
IUPAC Name5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate
SMILESCC(C)/N=C(\NC(C)C)SCC1=CSC2=NCCN12
InChIInChI=1S/C13H22N4S2/c1-9(2)15-12(16-10(3)4)18-7-11-8-19-13-14-5-6-17(11)13/h8-10H,5-7H2,1-4H3,(H,15,16)
InChIKeyZHKQNUINSKINOU-UHFFFAOYSA-N
XLogP2.74
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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,N'-di(propan-2-yl)carbamimidothioate?
The IUPAC name of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate (CID 25178561) is 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate.
What is the SMILES notation for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate?
The canonical SMILES for 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate is CC(C)/N=C(\NC(C)C)SCC1=CSC2=NCCN12.
What is the InChIKey of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate?
The InChIKey is ZHKQNUINSKINOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S2/c1-9(2)15-12(16-10(3)4)18-7-11-8-19-13-14-5-6-17(11)13/h8-10H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate?
5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl N,N'-di(propan-2-yl)carbamimidothioate has a molecular weight of 298.48 g/mol, XLogP of 2.74, 4 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,N'-di(propan-2-yl)carbamimidothioate is sourced from PubChem (CID 25178561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).