2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol

C10H8BrClN4OS — CID 168628389

IUPAC2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol
SMILESNc1csc(NN=Cc2cc(Cl)c(Br)cc2O)n1
InChIInChI=1S/C10H8BrClN4OS/c11-6-2-8(17)5(1-7(6)12)3-14-16-10-15-9(13)4-18-10/h1-4,17H,13H2,(H,15,16)
InChIKeyIRFSYOQJBCYYSB-UHFFFAOYSA-N
MW347.63 g/mol
LogP3.29
Rot. Bonds3

About 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol

2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol (PubChem CID 168628389) has the molecular formula C10H8BrClN4OS and a molecular weight of 347.63 g/mol. Its IUPAC name is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol.

Molecular Properties

Compound Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol
PubChem CID168628389
Molecular FormulaC10H8BrClN4OS
Molecular Weight347.63 g/mol
Exact Mass345.93
IUPAC Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol
SMILESNc1csc(NN=Cc2cc(Cl)c(Br)cc2O)n1
InChIInChI=1S/C10H8BrClN4OS/c11-6-2-8(17)5(1-7(6)12)3-14-16-10-15-9(13)4-18-10/h1-4,17H,13H2,(H,15,16)
InChIKeyIRFSYOQJBCYYSB-UHFFFAOYSA-N
XLogP3.29
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
CID 168626422
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
2-N-[(4-chloro-2,3,6-trifluorophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628077
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-bromo-6-ethoxyphenol
CID 168626937
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
CID 168625735
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(6-methoxy-3-pyridinyl)phenol
CID 168628387
2-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-4,6-dichlorophenol
CID 177477020
2-N-[(2-bromo-6-iodophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628267
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxy-3,4-dimethylphenol
CID 168626439
3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenol
CID 168625605

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol?
The IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol (CID 168628389) is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol.
What is the SMILES notation for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol?
The canonical SMILES for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol is Nc1csc(NN=Cc2cc(Cl)c(Br)cc2O)n1.
What is the InChIKey of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol?
The InChIKey is IRFSYOQJBCYYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN4OS/c11-6-2-8(17)5(1-7(6)12)3-14-16-10-15-9(13)4-18-10/h1-4,17H,13H2,(H,15,16).
What are the key properties of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol?
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol has a molecular weight of 347.63 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol is sourced from PubChem (CID 168628389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).