2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol

C16H15N3OS — CID 46902083

IUPAC2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol
SMILESOCC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C16H15N3OS/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14/h1-10,20H,11-12H2/b17-16+
InChIKeyPCUPUKBQZROPFR-WUKNDPDISA-N
MW297.38 g/mol
LogP2.49
Rot. Bonds4

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

2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol (PubChem CID 46902083) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol.

Molecular Properties

Compound Name2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol
PubChem CID46902083
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol
SMILESOCC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1
InChIInChI=1S/C16H15N3OS/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14/h1-10,20H,11-12H2/b17-16+
InChIKeyPCUPUKBQZROPFR-WUKNDPDISA-N
XLogP2.49
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.49
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 682802
CID 682802
CID 11957689
CID 11957689
CID 11165763
CID 11165763
CID 56965124
CID 56965124
CID 57326394
CID 57326394
CID 57326396
CID 57326396
CID 10016584
CID 10016584
CID 70687703
CID 70687703
CID 2134245
CID 2134245
CID 46902082
CID 46902082
CID 57326116
CID 57326116
CID 57326117
CID 57326117

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol?
The IUPAC name of 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol (CID 46902083) is 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol.
What is the SMILES notation for 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol?
The canonical SMILES for 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol is OCC/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1.
What is the InChIKey of 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol?
The InChIKey is PCUPUKBQZROPFR-WUKNDPDISA-N. The full InChI is InChI=1S/C16H15N3OS/c20-12-11-17-16-18-15(13-7-3-1-4-8-13)19(21-16)14-9-5-2-6-10-14/h1-10,20H,11-12H2/b17-16+.
What are the key properties of 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol?
2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol has a molecular weight of 297.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)amino]ethanol is sourced from PubChem (CID 46902083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).