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

C17H16N4O2S — CID 168625810

IUPAC4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol
SMILESNc1csc(NN=Cc2ccc(O)c(OCc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O2S/c18-16-11-24-17(20-16)21-19-9-13-6-7-14(22)15(8-13)23-10-12-4-2-1-3-5-12/h1-9,11,22H,10,18H2,(H,20,21)
InChIKeyWCVZDEOUSBIHSZ-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.46
Rot. Bonds6

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

4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol (PubChem CID 168625810) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol.

Molecular Properties

Compound Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol
PubChem CID168625810
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol
SMILESNc1csc(NN=Cc2ccc(O)c(OCc3ccccc3)c2)n1
InChIInChI=1S/C17H16N4O2S/c18-16-11-24-17(20-16)21-19-9-13-6-7-14(22)15(8-13)23-10-12-4-2-1-3-5-12/h1-9,11,22H,10,18H2,(H,20,21)
InChIKeyWCVZDEOUSBIHSZ-UHFFFAOYSA-N
XLogP3.46
TPSA92.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2-N-[(4-methyl-2-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625826
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
2-N-[(2,6-dimethyl-4-phenylmethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628322
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845141
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
2-N-[[3-[(3-methoxyphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626867
2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626932
2-N-[[3-(prop-2-enoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626078
3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387
2-N-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626848
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 168627267

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol?
The IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol (CID 168625810) is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol.
What is the SMILES notation for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol?
The canonical SMILES for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol is Nc1csc(NN=Cc2ccc(O)c(OCc3ccccc3)c2)n1.
What is the InChIKey of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol?
The InChIKey is WCVZDEOUSBIHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c18-16-11-24-17(20-16)21-19-9-13-6-7-14(22)15(8-13)23-10-12-4-2-1-3-5-12/h1-9,11,22H,10,18H2,(H,20,21).
What are the key properties of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol?
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol has a molecular weight of 340.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-phenylmethoxyphenol is sourced from PubChem (CID 168625810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).