N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide

C21H16N4O2S2 — CID 112811296

IUPACN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C21H16N4O2S2/c1-2-15-18(29-25-24-15)20(27)23-21-22-16(13-9-5-3-6-10-13)19(28-21)17(26)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,22,23,27)
InChIKeyVZKBGTQPLMOHBY-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.71
Rot. Bonds6

About N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 112811296) has the molecular formula C21H16N4O2S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
PubChem CID112811296
Molecular FormulaC21H16N4O2S2
Molecular Weight420.52 g/mol
Exact Mass420.07
IUPAC NameN-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C21H16N4O2S2/c1-2-15-18(29-25-24-15)20(27)23-21-22-16(13-9-5-3-6-10-13)19(28-21)17(26)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,22,23,27)
InChIKeyVZKBGTQPLMOHBY-UHFFFAOYSA-N
XLogP4.71
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
4-ethyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 134059869
4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 134059873
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41044546
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-(diethylamino)benzamide
CID 4682991
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide
CID 43980889
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
N'-benzoyl-4-ethylthiadiazole-5-carbohydrazide
CID 46522979
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 5203607
2-benzamido-N-hydroxy-4-phenyl-1,3-thiazole-5-carboxamide
CID 58121091

Frequently Asked Questions

What is the IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide (CID 112811296) is N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is VZKBGTQPLMOHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S2/c1-2-15-18(29-25-24-15)20(27)23-21-22-16(13-9-5-3-6-10-13)19(28-21)17(26)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,22,23,27).
What are the key properties of N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide?
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 112811296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).