N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline

C21H15N3O2S — CID 112839057

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline
SMILESc1cc(NCc2ccc(-c3nc4ccccc4s3)o2)cc(-c2cnco2)c1
InChIInChI=1S/C21H15N3O2S/c1-2-7-20-17(6-1)24-21(27-20)18-9-8-16(26-18)11-23-15-5-3-4-14(10-15)19-12-22-13-25-19/h1-10,12-13,23H,11H2
InChIKeyCADAPGSXQGJQMP-UHFFFAOYSA-N
MW373.44 g/mol
LogP5.82
Rot. Bonds5

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline (PubChem CID 112839057) has the molecular formula C21H15N3O2S and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline
PubChem CID112839057
Molecular FormulaC21H15N3O2S
Molecular Weight373.44 g/mol
Exact Mass373.09
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline
SMILESc1cc(NCc2ccc(-c3nc4ccccc4s3)o2)cc(-c2cnco2)c1
InChIInChI=1S/C21H15N3O2S/c1-2-7-20-17(6-1)24-21(27-20)18-9-8-16(26-18)11-23-15-5-3-4-14(10-15)19-12-22-13-25-19/h1-10,12-13,23H,11H2
InChIKeyCADAPGSXQGJQMP-UHFFFAOYSA-N
XLogP5.82
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.44
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline with MolForge

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
CID 54865173
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933793
3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]aniline
CID 110826435
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1,3-benzothiazole
CID 854969
1-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724345
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine
CID 110965982
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
3-[[3-(1,3-oxazol-5-yl)anilino]methyl]benzene-1,2-diol
CID 61319717
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]prop-2-en-1-amine
CID 43215838
1-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110965981
N-[(3-methylimidazol-4-yl)methyl]-3-(1,3-oxazol-5-yl)aniline
CID 66117073
2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]ethanamine
CID 170888031

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline (CID 112839057) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline is c1cc(NCc2ccc(-c3nc4ccccc4s3)o2)cc(-c2cnco2)c1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline?
The InChIKey is CADAPGSXQGJQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2S/c1-2-7-20-17(6-1)24-21(27-20)18-9-8-16(26-18)11-23-15-5-3-4-14(10-15)19-12-22-13-25-19/h1-10,12-13,23H,11H2.
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline has a molecular weight of 373.44 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(1,3-oxazol-5-yl)aniline is sourced from PubChem (CID 112839057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).