N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

C15H17N5OS3 — CID 2233856

IUPACN-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCSCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C
InChIInChI=1S/C15H17N5OS3/c1-3-22-8-12-18-19-15(20(12)2)23-9-13(21)17-14-16-10-6-4-5-7-11(10)24-14/h4-7H,3,8-9H2,1-2H3,(H,16,17,21)
InChIKeyFHNLIGYBHKKFSV-UHFFFAOYSA-N
MW379.54 g/mol
LogP3.41
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (PubChem CID 2233856) has the molecular formula C15H17N5OS3 and a molecular weight of 379.54 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
PubChem CID2233856
Molecular FormulaC15H17N5OS3
Molecular Weight379.54 g/mol
Exact Mass379.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILESCCSCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C
InChIInChI=1S/C15H17N5OS3/c1-3-22-8-12-18-19-15(20(12)2)23-9-13(21)17-14-16-10-6-4-5-7-11(10)24-14/h4-7H,3,8-9H2,1-2H3,(H,16,17,21)
InChIKeyFHNLIGYBHKKFSV-UHFFFAOYSA-N
XLogP3.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide with MolForge

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Related Compounds

S-(2-(2-Benzothiazolylamino)-2-oxoethyl) ethanethioate
CID 112568
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 894110
N-(1,3-benzothiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2369356
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
2-(1-methylimidazol-2-yl)sulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide
CID 4262516
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 798478
2-[5-(Benzothiazol-2-ylsulfanylmethyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-pyridin-2-ylmethyl-acetamide
CID 1629837
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1746420
2-[(1-methyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 9594507
N-(1,3-benzothiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 718180
2-([1,2,4]Triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
CID 2383579

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CID 2233856) is N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is CCSCc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The InChIKey is FHNLIGYBHKKFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS3/c1-3-22-8-12-18-19-15(20(12)2)23-9-13(21)17-14-16-10-6-4-5-7-11(10)24-14/h4-7H,3,8-9H2,1-2H3,(H,16,17,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has a molecular weight of 379.54 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[[5-(ethylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 2233856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).