N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide

C11H9N5OS2 — CID 6411115

IUPACN-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1nc2ccccc2s1
InChIInChI=1S/C11H9N5OS2/c17-9(6-18-10-5-12-16-15-10)14-11-13-7-3-1-2-4-8(7)19-11/h1-5H,6H2,(H,12,15,16)(H,13,14,17)
InChIKeyZFKLDMPOYSULTN-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.15
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide (PubChem CID 6411115) has the molecular formula C11H9N5OS2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
PubChem CID6411115
Molecular FormulaC11H9N5OS2
Molecular Weight291.36 g/mol
Exact Mass291.02
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
SMILESO=C(CSc1cn[nH]n1)Nc1nc2ccccc2s1
InChIInChI=1S/C11H9N5OS2/c17-9(6-18-10-5-12-16-15-10)14-11-13-7-3-1-2-4-8(7)19-11/h1-5H,6H2,(H,12,15,16)(H,13,14,17)
InChIKeyZFKLDMPOYSULTN-UHFFFAOYSA-N
XLogP2.15
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide
CID 42138966
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
N-(1,3-benzothiazol-2-yl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590379
N-(1,3-benzothiazol-2-yl)-2-nitrosoacetamide
CID 91592084
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
N-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 73254490
N-(1,3-benzothiazol-2-yl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614963
2-[(5-acetamido-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide
CID 2211311
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469
2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanyl-N-naphthalen-1-ylacetamide
CID 9457671
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4,6-dioxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3997242
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2223582

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide (CID 6411115) is N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide is O=C(CSc1cn[nH]n1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
The InChIKey is ZFKLDMPOYSULTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS2/c17-9(6-18-10-5-12-16-15-10)14-11-13-7-3-1-2-4-8(7)19-11/h1-5H,6H2,(H,12,15,16)(H,13,14,17).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide has a molecular weight of 291.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide is sourced from PubChem (CID 6411115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).