[5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol

C19H15N3O2S — CID 168579198

IUPAC[5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol
SMILESOCc1cc2cc(C=NNc3nc(-c4ccccc4)cs3)ccc2o1
InChIInChI=1S/C19H15N3O2S/c23-11-16-9-15-8-13(6-7-18(15)24-16)10-20-22-19-21-17(12-25-19)14-4-2-1-3-5-14/h1-10,12,23H,11H2,(H,21,22)
InChIKeyKLYCZYJQWDIZFT-UHFFFAOYSA-N
MW349.42 g/mol
LogP4.49
Rot. Bonds5

About [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol

[5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol (PubChem CID 168579198) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol
PubChem CID168579198
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name[5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol
SMILESOCc1cc2cc(C=NNc3nc(-c4ccccc4)cs3)ccc2o1
InChIInChI=1S/C19H15N3O2S/c23-11-16-9-15-8-13(6-7-18(15)24-16)10-20-22-19-21-17(12-25-19)14-4-2-1-3-5-14/h1-10,12,23H,11H2,(H,21,22)
InChIKeyKLYCZYJQWDIZFT-UHFFFAOYSA-N
XLogP4.49
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
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

[2-fluoro-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanol
CID 168577581
4-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 135501477
5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168577394
N-[(4-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579078
[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168576674
N-[(4-bromo-3-chlorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579281
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
N-[(E)-(4-bromophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 146050746
N-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine;hydrobromide
CID 44789214
N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577708
2-ethoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 2845141
2-[4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168576884

Frequently Asked Questions

What is the IUPAC name of [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol?
The IUPAC name of [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol (CID 168579198) is [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol.
What is the SMILES notation for [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol?
The canonical SMILES for [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol is OCc1cc2cc(C=NNc3nc(-c4ccccc4)cs3)ccc2o1.
What is the InChIKey of [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol?
The InChIKey is KLYCZYJQWDIZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-11-16-9-15-8-13(6-7-18(15)24-16)10-20-22-19-21-17(12-25-19)14-4-2-1-3-5-14/h1-10,12,23H,11H2,(H,21,22).
What are the key properties of [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol?
[5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol has a molecular weight of 349.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-1-benzofuran-2-yl]methanol is sourced from PubChem (CID 168579198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).