6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol

C11H10Br2N4OS — CID 168626422

IUPAC6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
SMILESCc1c(Br)cc(C=NNc2nc(N)cs2)c(O)c1Br
InChIInChI=1S/C11H10Br2N4OS/c1-5-7(12)2-6(10(18)9(5)13)3-15-17-11-16-8(14)4-19-11/h2-4,18H,14H2,1H3,(H,16,17)
InChIKeySRSNYGXISMNBFP-UHFFFAOYSA-N
MW406.10 g/mol
LogP3.71
Rot. Bonds3

About 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol

6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol (PubChem CID 168626422) has the molecular formula C11H10Br2N4OS and a molecular weight of 406.10 g/mol. Its IUPAC name is 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol.

Molecular Properties

Compound Name6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
PubChem CID168626422
Molecular FormulaC11H10Br2N4OS
Molecular Weight406.10 g/mol
Exact Mass403.89
IUPAC Name6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
SMILESCc1c(Br)cc(C=NNc2nc(N)cs2)c(O)c1Br
InChIInChI=1S/C11H10Br2N4OS/c1-5-7(12)2-6(10(18)9(5)13)3-15-17-11-16-8(14)4-19-11/h2-4,18H,14H2,1H3,(H,16,17)
InChIKeySRSNYGXISMNBFP-UHFFFAOYSA-N
XLogP3.71
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 53.71
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-methoxy-3,4-dimethylphenol
CID 168626439
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-bromo-4-chlorophenol
CID 168628389
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-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol
CID 168626376
2,4-dibromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2791064
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
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625881
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methoxy-6-nitrophenol
CID 168626377
2-bromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(trifluoromethyl)phenol
CID 168619700

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol?
The IUPAC name of 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol (CID 168626422) is 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol.
What is the SMILES notation for 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol?
The canonical SMILES for 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol is Cc1c(Br)cc(C=NNc2nc(N)cs2)c(O)c1Br.
What is the InChIKey of 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol?
The InChIKey is SRSNYGXISMNBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4OS/c1-5-7(12)2-6(10(18)9(5)13)3-15-17-11-16-8(14)4-19-11/h2-4,18H,14H2,1H3,(H,16,17).
What are the key properties of 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol?
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol has a molecular weight of 406.10 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol is sourced from PubChem (CID 168626422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).