N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C17H14N4O4S2 — CID 3940860

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccoc4C)o3)sc2c1
InChIInChI=1S/C17H14N4O4S2/c1-9-11(5-6-24-9)15-20-21-17(25-15)26-8-14(22)19-16-18-12-4-3-10(23-2)7-13(12)27-16/h3-7H,8H2,1-2H3,(H,18,19,22)
InChIKeyKLLRRDILPGKVRM-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.99
Rot. Bonds6

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3940860) has the molecular formula C17H14N4O4S2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3940860
Molecular FormulaC17H14N4O4S2
Molecular Weight402.46 g/mol
Exact Mass402.05
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccoc4C)o3)sc2c1
InChIInChI=1S/C17H14N4O4S2/c1-9-11(5-6-24-9)15-20-21-17(25-15)26-8-14(22)19-16-18-12-4-3-10(23-2)7-13(12)27-16/h3-7H,8H2,1-2H3,(H,18,19,22)
InChIKeyKLLRRDILPGKVRM-UHFFFAOYSA-N
XLogP3.99
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952711
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5038708
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4648151
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3985125
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3148814
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5107036
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9405111
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655324
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 5030464
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1238182
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3889839
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3940860) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc2nc(NC(=O)CSc3nnc(-c4ccoc4C)o3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KLLRRDILPGKVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O4S2/c1-9-11(5-6-24-9)15-20-21-17(25-15)26-8-14(22)19-16-18-12-4-3-10(23-2)7-13(12)27-16/h3-7H,8H2,1-2H3,(H,18,19,22).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 402.46 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3940860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).