(2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol

C18H18N4OS — CID 90334722

IUPAC(2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol
SMILESNN(/N=C(/CO)Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N4OS/c19-22(21-16(12-23)11-14-7-3-1-4-8-14)18-20-17(13-24-18)15-9-5-2-6-10-15/h1-10,13,23H,11-12,19H2/b21-16+
InChIKeyFOAJTBNWURVNFB-LTGZKZEYSA-N
MW338.44 g/mol
LogP3.08
Rot. Bonds6

About (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol

(2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol (PubChem CID 90334722) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol
PubChem CID90334722
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol
SMILESNN(/N=C(/CO)Cc1ccccc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H18N4OS/c19-22(21-16(12-23)11-14-7-3-1-4-8-14)18-20-17(13-24-18)15-9-5-2-6-10-15/h1-10,13,23H,11-12,19H2/b21-16+
InChIKeyFOAJTBNWURVNFB-LTGZKZEYSA-N
XLogP3.08
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol
CID 59364038
2-[ethyl-(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133370528
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
N-benzyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3173507
4-(4-chlorophenyl)-N-(1,3-diphenylpropan-2-ylideneamino)-1,3-thiazol-2-amine
CID 25014803
(2R)-4-amino-4-hydroxyimino-N,2-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 173467340
4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
CID 67146644
N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 42765930
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
2-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)-propan-2-ylamino]propanoic acid
CID 82310044
N-(3-iodoprop-2-ynyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 13344830
2-(4-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 2675972

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol?
The IUPAC name of (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol (CID 90334722) is (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol.
What is the SMILES notation for (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol?
The canonical SMILES for (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol is NN(/N=C(/CO)Cc1ccccc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol?
The InChIKey is FOAJTBNWURVNFB-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H18N4OS/c19-22(21-16(12-23)11-14-7-3-1-4-8-14)18-20-17(13-24-18)15-9-5-2-6-10-15/h1-10,13,23H,11-12,19H2/b21-16+.
What are the key properties of (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol?
(2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol has a molecular weight of 338.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol is sourced from PubChem (CID 90334722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).