N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide

C43H25ClF9N9O6S6 — CID 167595071

IUPACN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(SC(F)(F)F)cc3)o2)s1.O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(SC(F)(F)F)cc1.O=C(Nc1nnc(-c2cccs2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3O2S2.C14H7ClF3N3O2S2.C14H8F3N3O2S2/c1-8-2-7-11(24-8)13-20-21-14(23-13)19-12(22)9-3-5-10(6-4-9)25-15(16,17)18;15-10-6-5-9(24-10)12-20-21-13(23-12)19-11(22)7-1-3-8(4-2-7)25-14(16,17)18;15-14(16,17)24-9-5-3-8(4-6-9)11(21)18-13-20-19-12(22-13)10-2-1-7-23-10/h2-7H,1H3,(H,19,21,22);1-6H,(H,19,21,22);1-7H,(H,18,20,21)
InChIKeyIYMAFASRZBQPPI-UHFFFAOYSA-N
MW1162.57 g/mol
LogP14.95
Rot. Bonds12

About N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide

N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 167595071) has the molecular formula C43H25ClF9N9O6S6 and a molecular weight of 1162.57 g/mol. Its IUPAC name is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID167595071
Molecular FormulaC43H25ClF9N9O6S6
Molecular Weight1162.57 g/mol
Exact Mass1160.98
IUPAC NameN-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc(SC(F)(F)F)cc3)o2)s1.O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(SC(F)(F)F)cc1.O=C(Nc1nnc(-c2cccs2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3O2S2.C14H7ClF3N3O2S2.C14H8F3N3O2S2/c1-8-2-7-11(24-8)13-20-21-14(23-13)19-12(22)9-3-5-10(6-4-9)25-15(16,17)18;15-10-6-5-9(24-10)12-20-21-13(23-12)19-11(22)7-1-3-8(4-2-7)25-14(16,17)18;15-14(16,17)24-9-5-3-8(4-6-9)11(21)18-13-20-19-12(22-13)10-2-1-7-23-10/h2-7H,1H3,(H,19,21,22);1-6H,(H,19,21,22);1-7H,(H,18,20,21)
InChIKeyIYMAFASRZBQPPI-UHFFFAOYSA-N
XLogP14.95
TPSA204.06 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001162.57
LogP ≤ 514.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide with MolForge

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Related Compounds

4-propan-2-ylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18587122
5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 3688984
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide
CID 155235618
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 4085017
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 4-(trifluoromethylsulfanyl)benzoate
CID 24501204
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 155235610
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2057813
4-methyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 45496806
2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4078289
3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
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3-butoxy-N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2104567

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (CID 167595071) is N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is Cc1ccc(-c2nnc(NC(=O)c3ccc(SC(F)(F)F)cc3)o2)s1.O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1ccc(SC(F)(F)F)cc1.O=C(Nc1nnc(-c2cccs2)o1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is IYMAFASRZBQPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S2.C14H7ClF3N3O2S2.C14H8F3N3O2S2/c1-8-2-7-11(24-8)13-20-21-14(23-13)19-12(22)9-3-5-10(6-4-9)25-15(16,17)18;15-10-6-5-9(24-10)12-20-21-13(23-12)19-11(22)7-1-3-8(4-2-7)25-14(16,17)18;15-14(16,17)24-9-5-3-8(4-6-9)11(21)18-13-20-19-12(22-13)10-2-1-7-23-10/h2-7H,1H3,(H,19,21,22);1-6H,(H,19,21,22);1-7H,(H,18,20,21).
What are the key properties of N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 1162.57 g/mol, XLogP of 14.95, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethylsulfanyl)benzamide;N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 167595071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).