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

C17H16N4OS — CID 168626606

IUPAC[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol
SMILESNc1csc(NN=Cc2cccc(-c3ccc(CO)cc3)c2)n1
InChIInChI=1S/C17H16N4OS/c18-16-11-23-17(20-16)21-19-9-13-2-1-3-15(8-13)14-6-4-12(10-22)5-7-14/h1-9,11,22H,10,18H2,(H,20,21)
InChIKeyKYKLHOSFCOUNSZ-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.33
Rot. Bonds5

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

[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol (PubChem CID 168626606) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol
PubChem CID168626606
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol
SMILESNc1csc(NN=Cc2cccc(-c3ccc(CO)cc3)c2)n1
InChIInChI=1S/C17H16N4OS/c18-16-11-23-17(20-16)21-19-9-13-2-1-3-15(8-13)14-6-4-12(10-22)5-7-14/h1-9,11,22H,10,18H2,(H,20,21)
InChIKeyKYKLHOSFCOUNSZ-UHFFFAOYSA-N
XLogP3.33
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.33
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'}

Analyze [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387
2-N-[[3-(2H-tetrazol-5-yl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627342
2-N-[[3-(prop-2-enoxymethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626078
[[3-[4-(hydroxymethyl)phenyl]phenyl]methylideneamino]thiourea
CID 168534984
2-N-[[3-(methoxymethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625808
N-[[3-(4-methoxyphenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617631
2-N-[[4-(4-chloro-3-fluorophenyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628160
2-N-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627876
2-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627336
2-N-[[3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625935
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822

Frequently Asked Questions

What is the IUPAC name of [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol?
The IUPAC name of [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol (CID 168626606) is [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol.
What is the SMILES notation for [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol?
The canonical SMILES for [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol is Nc1csc(NN=Cc2cccc(-c3ccc(CO)cc3)c2)n1.
What is the InChIKey of [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol?
The InChIKey is KYKLHOSFCOUNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c18-16-11-23-17(20-16)21-19-9-13-2-1-3-15(8-13)14-6-4-12(10-22)5-7-14/h1-9,11,22H,10,18H2,(H,20,21).
What are the key properties of [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol?
[4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol has a molecular weight of 324.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenyl]methanol is sourced from PubChem (CID 168626606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).