N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide

C20H19N5O4S — CID 137424728

IUPACN-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide
SMILESCOc1cccc2sc(Nc3nnc(-c4ccc(OCCNC(C)=O)cc4)o3)nc12
InChIInChI=1S/C20H19N5O4S/c1-12(26)21-10-11-28-14-8-6-13(7-9-14)18-24-25-19(29-18)23-20-22-17-15(27-2)4-3-5-16(17)30-20/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyFAEWPFLQKAKNER-UHFFFAOYSA-N
MW425.47 g/mol
LogP3.61
Rot. Bonds8

About N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide

N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide (PubChem CID 137424728) has the molecular formula C20H19N5O4S and a molecular weight of 425.47 g/mol. Its IUPAC name is N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide
PubChem CID137424728
Molecular FormulaC20H19N5O4S
Molecular Weight425.47 g/mol
Exact Mass425.12
IUPAC NameN-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide
SMILESCOc1cccc2sc(Nc3nnc(-c4ccc(OCCNC(C)=O)cc4)o3)nc12
InChIInChI=1S/C20H19N5O4S/c1-12(26)21-10-11-28-14-8-6-13(7-9-14)18-24-25-19(29-18)23-20-22-17-15(27-2)4-3-5-16(17)30-20/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyFAEWPFLQKAKNER-UHFFFAOYSA-N
XLogP3.61
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]benzamide
CID 137425209
2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 137435087
N-(4-methoxy-1,3-benzothiazol-2-yl)-5-(4-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-amine
CID 73387508
2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]-1-morpholin-4-ylethanone
CID 137434996
5-(3,5-dimethoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 8545174
N-[2-(4-methoxyphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390918
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 3242011
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 43968759
4-(4-chlorophenoxy)-N-(4-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 19218843
1-(4-ethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080246
5-(4-fluorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110023
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 6622265

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide?
The IUPAC name of N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide (CID 137424728) is N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide is COc1cccc2sc(Nc3nnc(-c4ccc(OCCNC(C)=O)cc4)o3)nc12.
What is the InChIKey of N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide?
The InChIKey is FAEWPFLQKAKNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4S/c1-12(26)21-10-11-28-14-8-6-13(7-9-14)18-24-25-19(29-18)23-20-22-17-15(27-2)4-3-5-16(17)30-20/h3-9H,10-11H2,1-2H3,(H,21,26)(H,22,23,25).
What are the key properties of N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide?
N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide has a molecular weight of 425.47 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-[(4-methoxy-1,3-benzothiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]acetamide is sourced from PubChem (CID 137424728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).