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

C16H12N4OS — CID 18870606

IUPACN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2nnc(CNc3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C16H12N4OS/c1-2-6-11(7-3-1)15-20-19-14(21-15)10-17-16-18-12-8-4-5-9-13(12)22-16/h1-9H,10H2,(H,17,18)
InChIKeyLXVBWSUABOSBLU-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.96
Rot. Bonds4

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

N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 18870606) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID18870606
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC NameN-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESc1ccc(-c2nnc(CNc3nc4ccccc4s3)o2)cc1
InChIInChI=1S/C16H12N4OS/c1-2-6-11(7-3-1)15-20-19-14(21-15)10-17-16-18-12-8-4-5-9-13(12)22-16/h1-9H,10H2,(H,17,18)
InChIKeyLXVBWSUABOSBLU-UHFFFAOYSA-N
XLogP3.96
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1,3-benzothiazol-2-amine
CID 617555
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-4-amine
CID 5122987
5-[2-(1,3-benzothiazol-2-ylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 131963674
2-bromo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 60683451
4-[(1,3-benzothiazol-2-ylamino)methyl]benzonitrile
CID 47267559
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
3-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pentan-3-amine
CID 103746773
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56885158
2-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 134714056
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943

Frequently Asked Questions

What is the IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 18870606) is N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine is c1ccc(-c2nnc(CNc3nc4ccccc4s3)o2)cc1.
What is the InChIKey of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is LXVBWSUABOSBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-2-6-11(7-3-1)15-20-19-14(21-15)10-17-16-18-12-8-4-5-9-13(12)22-16/h1-9H,10H2,(H,17,18).
What are the key properties of N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine?
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 308.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 18870606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).