4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol

C10H9BrN4OS — CID 168625614

IUPAC4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
SMILESNc1csc(NN=Cc2ccc(O)c(Br)c2)n1
InChIInChI=1S/C10H9BrN4OS/c11-7-3-6(1-2-8(7)16)4-13-15-10-14-9(12)5-17-10/h1-5,16H,12H2,(H,14,15)
InChIKeyGRKWXPVFPSSIRB-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.64
Rot. Bonds3

About 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol

4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol (PubChem CID 168625614) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol.

Molecular Properties

Compound Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
PubChem CID168625614
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
SMILESNc1csc(NN=Cc2ccc(O)c(Br)c2)n1
InChIInChI=1S/C10H9BrN4OS/c11-7-3-6(1-2-8(7)16)4-13-15-10-14-9(12)5-17-10/h1-5,16H,12H2,(H,14,15)
InChIKeyGRKWXPVFPSSIRB-UHFFFAOYSA-N
XLogP2.64
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
2-bromo-4-[(Z)-[[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 136781712
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol
CID 168625810
3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol
CID 168628389
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
CID 168626422
2-N-[(3-fluoro-4-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625811
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
2-N-[(4-ethynyl-3-fluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627908

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol?
The IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol (CID 168625614) is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol.
What is the SMILES notation for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol?
The canonical SMILES for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol is Nc1csc(NN=Cc2ccc(O)c(Br)c2)n1.
What is the InChIKey of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol?
The InChIKey is GRKWXPVFPSSIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c11-7-3-6(1-2-8(7)16)4-13-15-10-14-9(12)5-17-10/h1-5,16H,12H2,(H,14,15).
What are the key properties of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol?
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol has a molecular weight of 313.18 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol is sourced from PubChem (CID 168625614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).