2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide

C18H14N4O2S2 — CID 55731593

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C18H14N4O2S2/c1-11-6-7-12(17-22-19-10-24-17)8-14(11)20-16(23)9-25-18-21-13-4-2-3-5-15(13)26-18/h2-8,10H,9H2,1H3,(H,20,23)
InChIKeyKDHLLQVQRWCCOX-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.39
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 55731593) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID55731593
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C18H14N4O2S2/c1-11-6-7-12(17-22-19-10-24-17)8-14(11)20-16(23)9-25-18-21-13-4-2-3-5-15(13)26-18/h2-8,10H,9H2,1H3,(H,20,23)
InChIKeyKDHLLQVQRWCCOX-UHFFFAOYSA-N
XLogP4.39
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 51090247
3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 43706139
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 4041341
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 4045804
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111435014
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]acetamide
CID 121024521
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 9077691
N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 55731779
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 87045574
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 4912372

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 55731593) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is Cc1ccc(-c2nnco2)cc1NC(=O)CSc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is KDHLLQVQRWCCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c1-11-6-7-12(17-22-19-10-24-17)8-14(11)20-16(23)9-25-18-21-13-4-2-3-5-15(13)26-18/h2-8,10H,9H2,1H3,(H,20,23).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 382.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 55731593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).