amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol

C15H17N3OS — CID 167065527

IUPACamino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol
SMILESNC(S)N/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H17N3OS/c16-15(20)18-17-10-12-6-8-14(9-7-12)19-11-13-4-2-1-3-5-13/h1-10,15,18,20H,11,16H2/b17-10+
InChIKeyYXCVEGWRIVKFRP-LICLKQGHSA-N
MW287.39 g/mol
LogP2.36
Rot. Bonds6

About amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol

amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol (PubChem CID 167065527) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol.

Molecular Properties

Compound Nameamino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol
PubChem CID167065527
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Nameamino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol
SMILESNC(S)N/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C15H17N3OS/c16-15(20)18-17-10-12-6-8-14(9-7-12)19-11-13-4-2-1-3-5-13/h1-10,15,18,20H,11,16H2/b17-10+
InChIKeyYXCVEGWRIVKFRP-LICLKQGHSA-N
XLogP2.36
TPSA59.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol with MolForge

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Related Compounds

N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]formamide
CID 6901375
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
(2R)-2-hydroxy-2-phenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1368192
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658895
N-[(Z)-benzylideneamino]-4-phenylmethoxybenzamide
CID 5401763
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propan-1-amine
CID 126048176
N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 6880344

Frequently Asked Questions

What is the IUPAC name of amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol?
The IUPAC name of amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol (CID 167065527) is amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol.
What is the SMILES notation for amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol?
The canonical SMILES for amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol is NC(S)N/N=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol?
The InChIKey is YXCVEGWRIVKFRP-LICLKQGHSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-15(20)18-17-10-12-6-8-14(9-7-12)19-11-13-4-2-1-3-5-13/h1-10,15,18,20H,11,16H2/b17-10+.
What are the key properties of amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol?
amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol has a molecular weight of 287.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]methanethiol is sourced from PubChem (CID 167065527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).