5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide

C11H6ClN3O2S2 — CID 3688984

IUPAC5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(Cl)s1
InChIInChI=1S/C11H6ClN3O2S2/c12-8-4-3-6(19-8)9(16)13-11-15-14-10(17-11)7-2-1-5-18-7/h1-5H,(H,13,15,16)
InChIKeyXHMHUXBZUTWVON-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.77
Rot. Bonds3

About 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide

5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 3688984) has the molecular formula C11H6ClN3O2S2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
PubChem CID3688984
Molecular FormulaC11H6ClN3O2S2
Molecular Weight311.78 g/mol
Exact Mass310.96
IUPAC Name5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(Cl)s1
InChIInChI=1S/C11H6ClN3O2S2/c12-8-4-3-6(19-8)9(16)13-11-15-14-10(17-11)7-2-1-5-18-7/h1-5H,(H,13,15,16)
InChIKeyXHMHUXBZUTWVON-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 7294998
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
2-iodo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536716
2-bromo-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4078289
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
4-methyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 45496806
3,5-dinitro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4536722
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 155235610
5-chloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 4176864
4-propan-2-ylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18587122
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide
CID 6852040
1-cyclopentyl-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 52906577

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide (CID 3688984) is 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nnc(-c2cccs2)o1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is XHMHUXBZUTWVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O2S2/c12-8-4-3-6(19-8)9(16)13-11-15-14-10(17-11)7-2-1-5-18-7/h1-5H,(H,13,15,16).
What are the key properties of 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide?
5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 311.78 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3688984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).