N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

C18H16N4OS — CID 8802346

IUPACN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCN(Cc1nnc(-c2ccccc2)o1)Cc1nc2ccccc2s1
InChIInChI=1S/C18H16N4OS/c1-22(12-17-19-14-9-5-6-10-15(14)24-17)11-16-20-21-18(23-16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyBEOZNINRFXOSCG-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.98
Rot. Bonds5

About N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 8802346) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID8802346
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCN(Cc1nnc(-c2ccccc2)o1)Cc1nc2ccccc2s1
InChIInChI=1S/C18H16N4OS/c1-22(12-17-19-14-9-5-6-10-15(14)24-17)11-16-20-21-18(23-16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3
InChIKeyBEOZNINRFXOSCG-UHFFFAOYSA-N
XLogP3.98
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 34760718
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 18870606
3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoic acid
CID 13285746
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 62687569
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-methyl-1-[5-methyl-2-(3-methylthiophen-2-yl)-1,3-oxazol-4-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 56748813
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 35881185
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-thiophen-2-yl-1,3-oxazol-4-yl)methanamine
CID 8803017
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
1-[4-[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]phenyl]-N,N-dimethylpyrrolidin-3-amine
CID 59643598
N'-(1,3-benzothiazol-2-ylmethyl)-N'-methylpropane-1,3-diamine
CID 81492934

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (CID 8802346) is N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is CN(Cc1nnc(-c2ccccc2)o1)Cc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is BEOZNINRFXOSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-22(12-17-19-14-9-5-6-10-15(14)24-17)11-16-20-21-18(23-16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 336.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 8802346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).