2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

C13H12N4OS3 — CID 798478

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3ccccc3s2)s1
InChIInChI=1S/C13H12N4OS3/c1-2-11-16-17-12(21-11)15-10(18)7-19-13-14-8-5-3-4-6-9(8)20-13/h3-6H,2,7H2,1H3,(H,15,17,18)
InChIKeyBIANSDCFCZPMCM-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.44
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 798478) has the molecular formula C13H12N4OS3 and a molecular weight of 336.47 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID798478
Molecular FormulaC13H12N4OS3
Molecular Weight336.47 g/mol
Exact Mass336.02
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3ccccc3s2)s1
InChIInChI=1S/C13H12N4OS3/c1-2-11-16-17-12(21-11)15-10(18)7-19-13-14-8-5-3-4-6-9(8)20-13/h3-6H,2,7H2,1H3,(H,15,17,18)
InChIKeyBIANSDCFCZPMCM-UHFFFAOYSA-N
XLogP3.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-amine
CID 2311153
Acetamide, N-2-benzothiazolyl-
CID 350459
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 894110
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2431643
3-(1,3-Benzothiazol-2-ylmethylsulfanyl)-5-methyl-1,2,4-triazol-4-amine
CID 2603763
N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
N-1,3-benzothiazol-2-yl-2-[(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135460593
N-(1,3-benzothiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 718180
1-[[2-(1,3-Benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-phenylthiourea
CID 1553611
2-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 2383579
Pyrazol-5(4H)-one, 1-(2-benzothiazolyl)-3-methyl-
CID 459449

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide (CID 798478) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1nnc(NC(=O)CSc2nc3ccccc3s2)s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BIANSDCFCZPMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS3/c1-2-11-16-17-12(21-11)15-10(18)7-19-13-14-8-5-3-4-6-9(8)20-13/h3-6H,2,7H2,1H3,(H,15,17,18).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 336.47 g/mol, XLogP of 3.44, 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-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 798478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).