2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate

C13H14BrN4OS- — CID 20643988

IUPAC2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate
SMILESCCN(CC)c1ccc(/N=N/c2ncc(Br)s2)c([O-])c1
InChIInChI=1S/C13H15BrN4OS/c1-3-18(4-2)9-5-6-10(11(19)7-9)16-17-13-15-8-12(14)20-13/h5-8,19H,3-4H2,1-2H3/p-1/b17-16+
InChIKeyRADZBKPGRNBGRM-WUKNDPDISA-M
MW354.25 g/mol
LogP4.24
Rot. Bonds5

About 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate

2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate (PubChem CID 20643988) has the molecular formula C13H14BrN4OS- and a molecular weight of 354.25 g/mol. Its IUPAC name is 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate.

Molecular Properties

Compound Name2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate
PubChem CID20643988
Molecular FormulaC13H14BrN4OS-
Molecular Weight354.25 g/mol
Exact Mass353.01
IUPAC Name2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate
SMILESCCN(CC)c1ccc(/N=N/c2ncc(Br)s2)c([O-])c1
InChIInChI=1S/C13H15BrN4OS/c1-3-18(4-2)9-5-6-10(11(19)7-9)16-17-13-15-8-12(14)20-13/h5-8,19H,3-4H2,1-2H3/p-1/b17-16+
InChIKeyRADZBKPGRNBGRM-WUKNDPDISA-M
XLogP4.24
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(5-bromo-1,3-thiazol-2-yl)diazenyl]benzene-1,3-diol
CID 136759465
2-[(5-chloro-2-pyridinyl)diazenyl]-5-(diethylamino)phenol;2-[(5-chloro-2-pyridinyl)diazenyl]-5-(diethylamino)phenolate;cobalt;hydrochloride
CID 170845642
N,N-dibutyl-3-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
CID 163907954
2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
CID 136611798
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol
CID 135829617
2-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-1,3-benzothiazole-6-carboxylic acid
CID 136797804
1-Propanesulfonic acid, 3-[[4-[(5-bromo-2-pyridinyl)azo]-3-hydroxyphenyl]propylamino]-, disodium salt, dihydrate
CID 171382408
4-[(6-bromo-1,3-benzothiazol-2-yl)diazenyl]-3-methyl-N,N-dipropylaniline
CID 18737351
sodium;2-[(5-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol;tetraphenylboranuide
CID 174763131
N,N-diethyl-1,3-benzothiazol-6-amine
CID 12675901
4-[[4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]diazenyl]-N,N-diethylaniline
CID 168747254
N-[5-(diethylamino)-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)diazenyl]phenyl]acetamide
CID 3019660

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate?
The IUPAC name of 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate (CID 20643988) is 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate.
What is the SMILES notation for 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate?
The canonical SMILES for 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate is CCN(CC)c1ccc(/N=N/c2ncc(Br)s2)c([O-])c1.
What is the InChIKey of 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate?
The InChIKey is RADZBKPGRNBGRM-WUKNDPDISA-M. The full InChI is InChI=1S/C13H15BrN4OS/c1-3-18(4-2)9-5-6-10(11(19)7-9)16-17-13-15-8-12(14)20-13/h5-8,19H,3-4H2,1-2H3/p-1/b17-16+.
What are the key properties of 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate?
2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate has a molecular weight of 354.25 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1,3-thiazol-2-yl)diazenyl]-5-(diethylamino)phenolate is sourced from PubChem (CID 20643988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).