[(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea

C7H6BrN5S2 — CID 5186685

IUPAC[(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1c(Br)nc2sccn12
InChIInChI=1S/C7H6BrN5S2/c8-5-4(3-10-12-6(9)14)13-1-2-15-7(13)11-5/h1-3H,(H3,9,12,14)
InChIKeyAIAHMYZHQJFBOE-UHFFFAOYSA-N
MW304.20 g/mol
LogP1.33
Rot. Bonds2

About [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea

[(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea (PubChem CID 5186685) has the molecular formula C7H6BrN5S2 and a molecular weight of 304.20 g/mol. Its IUPAC name is [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea.

Molecular Properties

Compound Name[(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
PubChem CID5186685
Molecular FormulaC7H6BrN5S2
Molecular Weight304.20 g/mol
Exact Mass302.92
IUPAC Name[(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
SMILESNC(=S)NN=Cc1c(Br)nc2sccn12
InChIInChI=1S/C7H6BrN5S2/c8-5-4(3-10-12-6(9)14)13-1-2-15-7(13)11-5/h1-3H,(H3,9,12,14)
InChIKeyAIAHMYZHQJFBOE-UHFFFAOYSA-N
XLogP1.33
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea?
The IUPAC name of [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea (CID 5186685) is [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea.
What is the SMILES notation for [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea?
The canonical SMILES for [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea is NC(=S)NN=Cc1c(Br)nc2sccn12.
What is the InChIKey of [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea?
The InChIKey is AIAHMYZHQJFBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5S2/c8-5-4(3-10-12-6(9)14)13-1-2-15-7(13)11-5/h1-3H,(H3,9,12,14).
What are the key properties of [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea?
[(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea has a molecular weight of 304.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6-bromoimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea is sourced from PubChem (CID 5186685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).