1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea

C11H12N4S2 — CID 10400603

IUPAC1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea
SMILESNC(=S)NCC1CSc2nc3ccccc3n21
InChIInChI=1S/C11H12N4S2/c12-10(16)13-5-7-6-17-11-14-8-3-1-2-4-9(8)15(7)11/h1-4,7H,5-6H2,(H3,12,13,16)
InChIKeyYRHVIVJXHKZBMH-UHFFFAOYSA-N
MW264.38 g/mol
LogP1.52
Rot. Bonds2

About 1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea

1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea (PubChem CID 10400603) has the molecular formula C11H12N4S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea.

Molecular Properties

Compound Name1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea
PubChem CID10400603
Molecular FormulaC11H12N4S2
Molecular Weight264.38 g/mol
Exact Mass264.05
IUPAC Name1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea
SMILESNC(=S)NCC1CSc2nc3ccccc3n21
InChIInChI=1S/C11H12N4S2/c12-10(16)13-5-7-6-17-11-14-8-3-1-2-4-9(8)15(7)11/h1-4,7H,5-6H2,(H3,12,13,16)
InChIKeyYRHVIVJXHKZBMH-UHFFFAOYSA-N
XLogP1.52
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 51.52
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-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea?
The IUPAC name of 1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea (CID 10400603) is 1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea.
What is the SMILES notation for 1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea?
The canonical SMILES for 1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea is NC(=S)NCC1CSc2nc3ccccc3n21.
What is the InChIKey of 1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea?
The InChIKey is YRHVIVJXHKZBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S2/c12-10(16)13-5-7-6-17-11-14-8-3-1-2-4-9(8)15(7)11/h1-4,7H,5-6H2,(H3,12,13,16).
What are the key properties of 1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea?
1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea has a molecular weight of 264.38 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazol-1-ylmethylthiourea is sourced from PubChem (CID 10400603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).