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

C15H12N4O4S — CID 43968743

IUPACN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(OC)c2nc(Nc3nnc(-c4ccco4)o3)sc2c1
InChIInChI=1S/C15H12N4O4S/c1-20-8-6-10(21-2)12-11(7-8)24-15(16-12)17-14-19-18-13(23-14)9-4-3-5-22-9/h3-7H,1-2H3,(H,16,17,19)
InChIKeyBEYSVMGMWVOLDR-UHFFFAOYSA-N
MW344.35 g/mol
LogP3.70
Rot. Bonds5

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

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 43968743) has the molecular formula C15H12N4O4S and a molecular weight of 344.35 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID43968743
Molecular FormulaC15H12N4O4S
Molecular Weight344.35 g/mol
Exact Mass344.06
IUPAC NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCOc1cc(OC)c2nc(Nc3nnc(-c4ccco4)o3)sc2c1
InChIInChI=1S/C15H12N4O4S/c1-20-8-6-10(21-2)12-11(7-8)24-15(16-12)17-14-19-18-13(23-14)9-4-3-5-22-9/h3-7H,1-2H3,(H,16,17,19)
InChIKeyBEYSVMGMWVOLDR-UHFFFAOYSA-N
XLogP3.70
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 43968759
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
5-(3,5-dimethoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 8545174
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)furan-2-carbohydrazide
CID 43953269
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 3242011
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 73387508
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968745
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 6622265
4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968726

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine (CID 43968743) is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine is COc1cc(OC)c2nc(Nc3nnc(-c4ccco4)o3)sc2c1.
What is the InChIKey of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BEYSVMGMWVOLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4S/c1-20-8-6-10(21-2)12-11(7-8)24-15(16-12)17-14-19-18-13(23-14)9-4-3-5-22-9/h3-7H,1-2H3,(H,16,17,19).
What are the key properties of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine?
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 344.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 43968743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).