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

C18H17N3OS — CID 59364038

IUPAC(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol
SMILESOC/C(Cc1ccccc1)=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H17N3OS/c22-12-16(11-14-7-3-1-4-8-14)20-21-18-19-17(13-23-18)15-9-5-2-6-10-15/h1-10,13,22H,11-12H2,(H,19,21)/b20-16+
InChIKeyPWAIFHLJTTVMOP-CAPFRKAQSA-N
MW323.42 g/mol
LogP3.81
Rot. Bonds6

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

(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol (PubChem CID 59364038) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol.

Molecular Properties

Compound Name(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol
PubChem CID59364038
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol
SMILESOC/C(Cc1ccccc1)=N/Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H17N3OS/c22-12-16(11-14-7-3-1-4-8-14)20-21-18-19-17(13-23-18)15-9-5-2-6-10-15/h1-10,13,22H,11-12H2,(H,19,21)/b20-16+
InChIKeyPWAIFHLJTTVMOP-CAPFRKAQSA-N
XLogP3.81
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-chlorophenyl)-N-(1,3-diphenylpropan-2-ylideneamino)-1,3-thiazol-2-amine
CID 25014803
4-(4-methoxyphenyl)-N-[(Z)-1-phenylpropan-2-ylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 172886714
(2E)-2-[amino-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]-3-phenylpropan-1-ol
CID 90334722
(2E)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-3-phenylpropanoic acid
CID 11668606
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 141197141
ethyl (2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propanoate
CID 13157648
4-phenyl-N-(4-phenylbut-3-en-2-ylideneamino)-1,3-thiazol-2-amine
CID 2875908
2-[(E)-C-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)amino]carbonimidoyl]benzene-1,3,5-triol
CID 136627447
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
4-phenyl-N-[(E)-1-quinoxalin-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 43835823

Frequently Asked Questions

What is the IUPAC name of (2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol?
The IUPAC name of (2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol (CID 59364038) is (2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol.
What is the SMILES notation for (2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol?
The canonical SMILES for (2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol is OC/C(Cc1ccccc1)=N/Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of (2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol?
The InChIKey is PWAIFHLJTTVMOP-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-12-16(11-14-7-3-1-4-8-14)20-21-18-19-17(13-23-18)15-9-5-2-6-10-15/h1-10,13,22H,11-12H2,(H,19,21)/b20-16+.
What are the key properties of (2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol?
(2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol has a molecular weight of 323.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propan-1-ol is sourced from PubChem (CID 59364038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).