2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol

C20H17N3OS — CID 51038995

IUPAC2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol
SMILESOCC/N=c1/nc(-c2cccc3ccccc23)n(-c2ccccc2)s1
InChIInChI=1S/C20H17N3OS/c24-14-13-21-20-22-19(23(25-20)16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12,24H,13-14H2/b21-20-
InChIKeyKXHKLFUNZYSUCT-MRCUWXFGSA-N
MW347.44 g/mol
LogP3.65
Rot. Bonds4

About 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol

2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol (PubChem CID 51038995) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol.

Molecular Properties

Compound Name2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol
PubChem CID51038995
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol
SMILESOCC/N=c1/nc(-c2cccc3ccccc23)n(-c2ccccc2)s1
InChIInChI=1S/C20H17N3OS/c24-14-13-21-20-22-19(23(25-20)16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12,24H,13-14H2/b21-20-
InChIKeyKXHKLFUNZYSUCT-MRCUWXFGSA-N
XLogP3.65
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_N_5A(3)', 'substructure': 'N/A'}

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Related Compounds

CID 56965124
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CID 57326394
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CID 57326396
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CID 46902082
CID 46902082
CID 46902083
CID 46902083
CID 11326790
CID 11326790
CID 57326027
CID 57326027
CID 51038970
CID 51038970
CID 76510926
CID 76510926
CID 132531076
CID 132531076
CID 11326791
CID 11326791
CID 88850743
CID 88850743

Frequently Asked Questions

What is the IUPAC name of 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol?
The IUPAC name of 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol (CID 51038995) is 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol.
What is the SMILES notation for 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol?
The canonical SMILES for 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol is OCC/N=c1/nc(-c2cccc3ccccc23)n(-c2ccccc2)s1.
What is the InChIKey of 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol?
The InChIKey is KXHKLFUNZYSUCT-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-14-13-21-20-22-19(23(25-20)16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12,24H,13-14H2/b21-20-.
What are the key properties of 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol?
2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol has a molecular weight of 347.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-naphthalen-1-yl-2-phenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol is sourced from PubChem (CID 51038995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).