1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea

C10H10N4S2 — CID 4275892

IUPAC1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea
SMILESNC(=S)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C10H10N4S2/c11-9(15)13-6-1-2-8-7(5-6)14-4-3-12-10(14)16-8/h1-2,5H,3-4H2,(H3,11,13,15)
InChIKeyHOLORIYCEPLKJU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.62
Rot. Bonds1

About 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea

1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea (PubChem CID 4275892) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea.

Molecular Properties

Compound Name1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea
PubChem CID4275892
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea
SMILESNC(=S)Nc1ccc2c(c1)N1CCN=C1S2
InChIInChI=1S/C10H10N4S2/c11-9(15)13-6-1-2-8-7(5-6)14-4-3-12-10(14)16-8/h1-2,5H,3-4H2,(H3,11,13,15)
InChIKeyHOLORIYCEPLKJU-UHFFFAOYSA-N
XLogP1.62
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea?
The IUPAC name of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea (CID 4275892) is 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea.
What is the SMILES notation for 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea?
The canonical SMILES for 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea is NC(=S)Nc1ccc2c(c1)N1CCN=C1S2.
What is the InChIKey of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea?
The InChIKey is HOLORIYCEPLKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c11-9(15)13-6-1-2-8-7(5-6)14-4-3-12-10(14)16-8/h1-2,5H,3-4H2,(H3,11,13,15).
What are the key properties of 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea?
1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea has a molecular weight of 250.35 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-7-ylthiourea is sourced from PubChem (CID 4275892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).