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

C16H14N4OS — CID 168626387

IUPAC3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
SMILESNc1csc(NN=Cc2cccc(-c3cccc(O)c3)c2)n1
InChIInChI=1S/C16H14N4OS/c17-15-10-22-16(19-15)20-18-9-11-3-1-4-12(7-11)13-5-2-6-14(21)8-13/h1-10,21H,17H2,(H,19,20)
InChIKeyRYFGZXTYPKQVKN-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.54
Rot. Bonds4

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

3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol (PubChem CID 168626387) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol.

Molecular Properties

Compound Name3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
PubChem CID168626387
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
SMILESNc1csc(NN=Cc2cccc(-c3cccc(O)c3)c2)n1
InChIInChI=1S/C16H14N4OS/c17-15-10-22-16(19-15)20-18-9-11-3-1-4-12(7-11)13-5-2-6-14(21)8-13/h1-10,21H,17H2,(H,19,20)
InChIKeyRYFGZXTYPKQVKN-UHFFFAOYSA-N
XLogP3.54
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol
CID 168626606
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627342
3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 3422737
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
2-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627876
2-N-[[3-(prop-2-enoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626078
2-N-[(2-phenylquinolin-7-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626742
2-N-[[3-(methoxymethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625808
2-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627336

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol?
The IUPAC name of 3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol (CID 168626387) is 3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol.
What is the SMILES notation for 3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol?
The canonical SMILES for 3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol is Nc1csc(NN=Cc2cccc(-c3cccc(O)c3)c2)n1.
What is the InChIKey of 3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol?
The InChIKey is RYFGZXTYPKQVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c17-15-10-22-16(19-15)20-18-9-11-3-1-4-12(7-11)13-5-2-6-14(21)8-13/h1-10,21H,17H2,(H,19,20).
What are the key properties of 3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol?
3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol has a molecular weight of 310.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol is sourced from PubChem (CID 168626387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).