N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide

C10H10BrN3OS — CID 20514575

IUPACN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide
SMILESBr.O=CNc1ccc2c(c1)SC1=NCCN12
InChIInChI=1S/C10H9N3OS.BrH/c14-6-12-7-1-2-8-9(5-7)15-10-11-3-4-13(8)10;/h1-2,5-6H,3-4H2,(H,12,14);1H
InChIKeyROANLRDYHGKGMX-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.11
Rot. Bonds2

About N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide

N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide (PubChem CID 20514575) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide.

Molecular Properties

Compound NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide
PubChem CID20514575
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC NameN-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide
SMILESBr.O=CNc1ccc2c(c1)SC1=NCCN12
InChIInChI=1S/C10H9N3OS.BrH/c14-6-12-7-1-2-8-9(5-7)15-10-11-3-4-13(8)10;/h1-2,5-6H,3-4H2,(H,12,14);1H
InChIKeyROANLRDYHGKGMX-UHFFFAOYSA-N
XLogP2.11
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.11
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-6-yl)formamide;hydrobromide?
The IUPAC name of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide (CID 20514575) is N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide.
What is the SMILES notation for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide?
The canonical SMILES for N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide is Br.O=CNc1ccc2c(c1)SC1=NCCN12.
What is the InChIKey of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide?
The InChIKey is ROANLRDYHGKGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS.BrH/c14-6-12-7-1-2-8-9(5-7)15-10-11-3-4-13(8)10;/h1-2,5-6H,3-4H2,(H,12,14);1H.
What are the key properties of N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide?
N-(1,2-dihydroimidazo[2,1-b][1,3]benzothiazol-6-yl)formamide;hydrobromide has a molecular weight of 300.18 g/mol, XLogP of 2.11, 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-6-yl)formamide;hydrobromide is sourced from PubChem (CID 20514575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).