5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

C16H10ClN3OS — CID 15141971

IUPAC5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESClc1c(-c2nnc(Nc3ccccc3)o2)sc2ccccc12
InChIInChI=1S/C16H10ClN3OS/c17-13-11-8-4-5-9-12(11)22-14(13)15-19-20-16(21-15)18-10-6-2-1-3-7-10/h1-9H,(H,18,20)
InChIKeyGUOZRTXUIBEOPP-UHFFFAOYSA-N
MW327.80 g/mol
LogP5.35
Rot. Bonds3

About 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 15141971) has the molecular formula C16H10ClN3OS and a molecular weight of 327.80 g/mol. Its IUPAC name is 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID15141971
Molecular FormulaC16H10ClN3OS
Molecular Weight327.80 g/mol
Exact Mass327.02
IUPAC Name5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESClc1c(-c2nnc(Nc3ccccc3)o2)sc2ccccc12
InChIInChI=1S/C16H10ClN3OS/c17-13-11-8-4-5-9-12(11)22-14(13)15-19-20-16(21-15)18-10-6-2-1-3-7-10/h1-9H,(H,18,20)
InChIKeyGUOZRTXUIBEOPP-UHFFFAOYSA-N
XLogP5.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.80
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-1-benzothiophen-2-yl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 15141974
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
S-[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl] benzenecarbothioate
CID 56969764
5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 2815521
2-(3-chloro-1-benzothiophen-2-yl)-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3593449
2-(3,5-dichloro-1-benzothiophen-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 11501120
2-(3-chloro-1-benzothiophen-2-yl)-5-(2-methylsulfanylethylsulfanyl)-1,3,4-oxadiazole
CID 7875900
2-(3-chloro-1-benzothiophen-2-yl)-5-(oxolan-2-yl)-1,3,4-oxadiazole
CID 136522449
2-(3-chloro-1-benzothiophen-2-yl)-5-(2-phenoxyethylsulfanyl)-1,3,4-oxadiazole
CID 7940623
N-carbamoyl-2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2645127
N-(4-acetamidophenyl)-2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4591756

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine (CID 15141971) is 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine is Clc1c(-c2nnc(Nc3ccccc3)o2)sc2ccccc12.
What is the InChIKey of 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is GUOZRTXUIBEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3OS/c17-13-11-8-4-5-9-12(11)22-14(13)15-19-20-16(21-15)18-10-6-2-1-3-7-10/h1-9H,(H,18,20).
What are the key properties of 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 327.80 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-1-benzothiophen-2-yl)-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15141971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).