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

C19H15ClN4O2S2 — CID 26243736

IUPAC2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)sc2c1
InChIInChI=1S/C19H15ClN4O2S2/c1-2-11-3-8-14-15(9-11)28-18(21-14)22-16(25)10-27-19-24-23-17(26-19)12-4-6-13(20)7-5-12/h3-9H,2,10H2,1H3,(H,21,22,25)
InChIKeyLVJZPQUTIYTLDR-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.29
Rot. Bonds6

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

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 26243736) has the molecular formula C19H15ClN4O2S2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID26243736
Molecular FormulaC19H15ClN4O2S2
Molecular Weight430.94 g/mol
Exact Mass430.03
IUPAC Name2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCc1ccc2nc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)sc2c1
InChIInChI=1S/C19H15ClN4O2S2/c1-2-11-3-8-14-15(9-11)28-18(21-14)22-16(25)10-27-19-24-23-17(26-19)12-4-6-13(20)7-5-12/h3-9H,2,10H2,1H3,(H,21,22,25)
InChIKeyLVJZPQUTIYTLDR-UHFFFAOYSA-N
XLogP5.29
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5038708
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 55508200
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4648151
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 26116935
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4669655
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1124859
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3889839
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 60549085
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 39928823
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5234388

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide (CID 26243736) is 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is CCc1ccc2nc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)sc2c1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is LVJZPQUTIYTLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S2/c1-2-11-3-8-14-15(9-11)28-18(21-14)22-16(25)10-27-19-24-23-17(26-19)12-4-6-13(20)7-5-12/h3-9H,2,10H2,1H3,(H,21,22,25).
What are the key properties of 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide?
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 430.94 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 26243736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).