N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide

C21H16N4OS — CID 15832223

IUPACN,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)/c(=N/c2ccccc2)s1
InChIInChI=1S/C21H16N4OS/c26-19(22-16-10-4-1-5-11-16)20-24-25(18-14-8-3-9-15-18)21(27-20)23-17-12-6-2-7-13-17/h1-15H,(H,22,26)/b23-21-
InChIKeyMKYXZEDWXNMEFK-LNVKXUELSA-N
MW372.45 g/mol
LogP4.42
Rot. Bonds4

About N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide

N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide (PubChem CID 15832223) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide
PubChem CID15832223
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC NameN,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)/c(=N/c2ccccc2)s1
InChIInChI=1S/C21H16N4OS/c26-19(22-16-10-4-1-5-11-16)20-24-25(18-14-8-3-9-15-18)21(27-20)23-17-12-6-2-7-13-17/h1-15H,(H,22,26)/b23-21-
InChIKeyMKYXZEDWXNMEFK-LNVKXUELSA-N
XLogP4.42
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5Z)-N,4-diphenyl-5-[(E)-pyridin-3-ylmethylidenehydrazinylidene]-1,3,4-thiadiazole-2-carboxamide
CID 177394230
naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone
CID 100932782
3-cyclopropyl-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110385427
5-oxo-N,1-diphenyl-4H-1,2,4-triazole-3-carboxamide
CID 135692647
2-oxo-N-phenyl-3H-1,3,4-thiadiazole-5-carboxamide
CID 12025379
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-[4-phenyl-5-(thiophene-2-carbonylimino)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 2346862
N-[5-acetyl-3-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-ylidene]benzamide
CID 4549044
4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
CID 24939286
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
2-N-phenyl-5-N-(2-phenylethyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353949

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide (CID 15832223) is N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nn(-c2ccccc2)/c(=N/c2ccccc2)s1.
What is the InChIKey of N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is MKYXZEDWXNMEFK-LNVKXUELSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-19(22-16-10-4-1-5-11-16)20-24-25(18-14-8-3-9-15-18)21(27-20)23-17-12-6-2-7-13-17/h1-15H,(H,22,26)/b23-21-.
What are the key properties of N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide?
N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 15832223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).