N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide

C25H16ClN7O2S — CID 21358495

IUPACN-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide
SMILESN#Cc1cccc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)c5cccc(Cl)c5)c4)no3)s2)c1
InChIInChI=1S/C25H16ClN7O2S/c26-17-7-2-6-16(11-17)23(34)29-19-9-3-5-15(12-19)22-32-24(35-33-22)20-21(28)31-25(36-20)30-18-8-1-4-14(10-18)13-27/h1-12H,28H2,(H,29,34)(H,30,31)
InChIKeyFZYZZGSGIRPCPH-UHFFFAOYSA-N
MW513.97 g/mol
LogP5.96
Rot. Bonds6

About N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide

N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide (PubChem CID 21358495) has the molecular formula C25H16ClN7O2S and a molecular weight of 513.97 g/mol. Its IUPAC name is N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide
PubChem CID21358495
Molecular FormulaC25H16ClN7O2S
Molecular Weight513.97 g/mol
Exact Mass513.08
IUPAC NameN-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide
SMILESN#Cc1cccc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)c5cccc(Cl)c5)c4)no3)s2)c1
InChIInChI=1S/C25H16ClN7O2S/c26-17-7-2-6-16(11-17)23(34)29-19-9-3-5-15(12-19)22-32-24(35-33-22)20-21(28)31-25(36-20)30-18-8-1-4-14(10-18)13-27/h1-12H,28H2,(H,29,34)(H,30,31)
InChIKeyFZYZZGSGIRPCPH-UHFFFAOYSA-N
XLogP5.96
TPSA142.75 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.97
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-chlorophenyl]-3-chlorobenzamide
CID 21358406
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 22994083
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,3-thiazole-2-carboxamide
CID 21358492
N-[3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-4-chlorophenyl]-3-methoxybenzamide
CID 21358407
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
5-(3-chlorophenyl)-N-(3-cyanophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391484
N-(3-cyanophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46288577
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
3-[5-[4-amino-2-(3,4,5-trimethoxyanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]benzoic acid
CID 21357839
4-cyano-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
CID 35521844
3-chloro-N-[5-(3-cyanoanilino)-2-pyridinyl]benzamide
CID 113037181

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide?
The IUPAC name of N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide (CID 21358495) is N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide?
The canonical SMILES for N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide is N#Cc1cccc(Nc2nc(N)c(-c3nc(-c4cccc(NC(=O)c5cccc(Cl)c5)c4)no3)s2)c1.
What is the InChIKey of N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide?
The InChIKey is FZYZZGSGIRPCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN7O2S/c26-17-7-2-6-16(11-17)23(34)29-19-9-3-5-15(12-19)22-32-24(35-33-22)20-21(28)31-25(36-20)30-18-8-1-4-14(10-18)13-27/h1-12H,28H2,(H,29,34)(H,30,31).
What are the key properties of N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide?
N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide has a molecular weight of 513.97 g/mol, XLogP of 5.96, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[4-amino-2-(3-cyanoanilino)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-chlorobenzamide is sourced from PubChem (CID 21358495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).