N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide

C10H9N3OS — CID 12873983

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide
SMILESO=CNc1cccc2c1SC1=NCCN12
InChIInChI=1S/C10H9N3OS/c14-6-12-7-2-1-3-8-9(7)15-10-11-4-5-13(8)10/h1-3,6H,4-5H2,(H,12,14)
InChIKeyMOQBIMFVDSPWBB-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.54
Rot. Bonds2

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide (PubChem CID 12873983) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide
PubChem CID12873983
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide
SMILESO=CNc1cccc2c1SC1=NCCN12
InChIInChI=1S/C10H9N3OS/c14-6-12-7-2-1-3-8-9(7)15-10-11-4-5-13(8)10/h1-3,6H,4-5H2,(H,12,14)
InChIKeyMOQBIMFVDSPWBB-UHFFFAOYSA-N
XLogP1.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide (CID 12873983) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide is O=CNc1cccc2c1SC1=NCCN12.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide?
The InChIKey is MOQBIMFVDSPWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-6-12-7-2-1-3-8-9(7)15-10-11-4-5-13(8)10/h1-3,6H,4-5H2,(H,12,14).
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide has a molecular weight of 219.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-5-yl)formamide is sourced from PubChem (CID 12873983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).