N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine

C19H18N4O5S — CID 43968759

IUPACN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(OC)cc(-c2nnc(Nc3nc4c(OC)cc(OC)cc4s3)o2)c1
InChIInChI=1S/C19H18N4O5S/c1-24-11-5-10(6-12(7-11)25-2)17-22-23-18(28-17)21-19-20-16-14(27-4)8-13(26-3)9-15(16)29-19/h5-9H,1-4H3,(H,20,21,23)
InChIKeyNQJPZIZVPBGJFP-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.12
Rot. Bonds7

About N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 43968759) has the molecular formula C19H18N4O5S and a molecular weight of 414.44 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID43968759
Molecular FormulaC19H18N4O5S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(OC)cc(-c2nnc(Nc3nc4c(OC)cc(OC)cc4s3)o2)c1
InChIInChI=1S/C19H18N4O5S/c1-24-11-5-10(6-12(7-11)25-2)17-22-23-18(28-17)21-19-20-16-14(27-4)8-13(26-3)9-15(16)29-19/h5-9H,1-4H3,(H,20,21,23)
InChIKeyNQJPZIZVPBGJFP-UHFFFAOYSA-N
XLogP4.12
TPSA100.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
CID 43968743
5-(3,5-dimethoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 8545174
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 3242011
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 73387508
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 6622265
5-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110023
4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968726
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968745

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine (CID 43968759) is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine is COc1cc(OC)cc(-c2nnc(Nc3nc4c(OC)cc(OC)cc4s3)o2)c1.
What is the InChIKey of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is NQJPZIZVPBGJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5S/c1-24-11-5-10(6-12(7-11)25-2)17-22-23-18(28-17)21-19-20-16-14(27-4)8-13(26-3)9-15(16)29-19/h5-9H,1-4H3,(H,20,21,23).
What are the key properties of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine?
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 414.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 43968759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).