N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide

C11H9N5O2S2 — CID 627918

IUPACN-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
SMILESNc1nonc1NC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C11H9N5O2S2/c12-9-10(16-18-15-9)14-8(17)5-19-11-13-6-3-1-2-4-7(6)20-11/h1-4H,5H2,(H2,12,15)(H,14,16,17)
InChIKeyCBFANANMOCCRRB-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.99
Rot. Bonds4

About N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide (PubChem CID 627918) has the molecular formula C11H9N5O2S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
PubChem CID627918
Molecular FormulaC11H9N5O2S2
Molecular Weight307.36 g/mol
Exact Mass307.02
IUPAC NameN-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
SMILESNc1nonc1NC(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C11H9N5O2S2/c12-9-10(16-18-15-9)14-8(17)5-19-11-13-6-3-1-2-4-7(6)20-11/h1-4H,5H2,(H2,12,15)(H,14,16,17)
InChIKeyCBFANANMOCCRRB-UHFFFAOYSA-N
XLogP1.99
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-amino-1,2,5-oxadiazol-3-yl)-2-phenylsulfanylacetamide
CID 3910053
N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,6-dichlorophenyl)acetamide
CID 1371097
2-[[5-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6492842
N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 687281
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 9458877
ethyl 4-acetyl-2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-5-methylfuran-3-carboxylate
CID 4809351
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 593667
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 974241
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277
2-(1,3-benzothiazol-2-ylsulfanyl)-N-phenylmethoxyacetamide
CID 32577583
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyethoxy)acetamide
CID 79676474

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide (CID 627918) is N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide is Nc1nonc1NC(=O)CSc1nc2ccccc2s1.
What is the InChIKey of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
The InChIKey is CBFANANMOCCRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2S2/c12-9-10(16-18-15-9)14-8(17)5-19-11-13-6-3-1-2-4-7(6)20-11/h1-4H,5H2,(H2,12,15)(H,14,16,17).
What are the key properties of N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide?
N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide has a molecular weight of 307.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1,2,5-oxadiazol-3-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 627918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).