4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine

C10H9BrN4S — CID 23001203

IUPAC4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine
SMILESBrc1c(NC2=NCCN2)ccc2scnc12
InChIInChI=1S/C10H9BrN4S/c11-8-6(15-10-12-3-4-13-10)1-2-7-9(8)14-5-16-7/h1-2,5H,3-4H2,(H2,12,13,15)
InChIKeyCOZVGDNFLLPMTE-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.43
Rot. Bonds1

About 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine

4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine (PubChem CID 23001203) has the molecular formula C10H9BrN4S and a molecular weight of 297.18 g/mol. Its IUPAC name is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine
PubChem CID23001203
Molecular FormulaC10H9BrN4S
Molecular Weight297.18 g/mol
Exact Mass295.97
IUPAC Name4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine
SMILESBrc1c(NC2=NCCN2)ccc2scnc12
InChIInChI=1S/C10H9BrN4S/c11-8-6(15-10-12-3-4-13-10)1-2-7-9(8)14-5-16-7/h1-2,5H,3-4H2,(H2,12,13,15)
InChIKeyCOZVGDNFLLPMTE-UHFFFAOYSA-N
XLogP2.43
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine (CID 23001203) is 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine is Brc1c(NC2=NCCN2)ccc2scnc12.
What is the InChIKey of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine?
The InChIKey is COZVGDNFLLPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4S/c11-8-6(15-10-12-3-4-13-10)1-2-7-9(8)14-5-16-7/h1-2,5H,3-4H2,(H2,12,13,15).
What are the key properties of 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine?
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine has a molecular weight of 297.18 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 23001203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).