3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine

C17H12ClN5OS — CID 133380047

IUPAC3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESClc1cccc(-c2noc(NCc3nnc(-c4ccccc4)s3)n2)c1
InChIInChI=1S/C17H12ClN5OS/c18-13-8-4-7-12(9-13)15-20-17(24-23-15)19-10-14-21-22-16(25-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,23)
InChIKeyQNGNALRYSVVTER-UHFFFAOYSA-N
MW369.84 g/mol
LogP4.52
Rot. Bonds5

About 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine

3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 133380047) has the molecular formula C17H12ClN5OS and a molecular weight of 369.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
PubChem CID133380047
Molecular FormulaC17H12ClN5OS
Molecular Weight369.84 g/mol
Exact Mass369.05
IUPAC Name3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine
SMILESClc1cccc(-c2noc(NCc3nnc(-c4ccccc4)s3)n2)c1
InChIInChI=1S/C17H12ClN5OS/c18-13-8-4-7-12(9-13)15-20-17(24-23-15)19-10-14-21-22-16(25-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,23)
InChIKeyQNGNALRYSVVTER-UHFFFAOYSA-N
XLogP4.52
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine with MolForge

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Related Compounds

5-chloro-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]benzonitrile
CID 133379909
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(2-fluorophenyl)ethanol
CID 133351569
3-(3-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133444924
3-(3-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2,4-oxadiazol-5-amine
CID 165350684
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
CID 133314634
3-(3-chlorophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-1,2,4-oxadiazol-5-amine
CID 133282298
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
4-chloro-2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 99586504
3-(3-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133281000
(2S)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]amino]-3-methylbutanoic acid
CID 122049627
N-[(4-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
CID 14675819

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine (CID 133380047) is 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine is Clc1cccc(-c2noc(NCc3nnc(-c4ccccc4)s3)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is QNGNALRYSVVTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS/c18-13-8-4-7-12(9-13)15-20-17(24-23-15)19-10-14-21-22-16(25-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,19,20,23).
What are the key properties of 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine?
3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 369.84 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133380047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).