2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C15H14N8OS2 — CID 3184406

IUPAC2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1nccs1
InChIInChI=1S/C15H14N8OS2/c1-22-12(8-23-11-5-3-2-4-10(11)18-21-23)19-20-15(22)26-9-13(24)17-14-16-6-7-25-14/h2-7H,8-9H2,1H3,(H,16,17,24)
InChIKeyYSWRURGCVKBAME-UHFFFAOYSA-N
MW386.47 g/mol
LogP1.80
Rot. Bonds6

About 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3184406) has the molecular formula C15H14N8OS2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3184406
Molecular FormulaC15H14N8OS2
Molecular Weight386.47 g/mol
Exact Mass386.07
IUPAC Name2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1nccs1
InChIInChI=1S/C15H14N8OS2/c1-22-12(8-23-11-5-3-2-4-10(11)18-21-23)19-20-15(22)26-9-13(24)17-14-16-6-7-25-14/h2-7H,8-9H2,1H3,(H,16,17,24)
InChIKeyYSWRURGCVKBAME-UHFFFAOYSA-N
XLogP1.80
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide
CID 4262516
2-[5-(Benzothiazol-2-ylsulfanylmethyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-pyridin-2-ylmethyl-acetamide
CID 1629837
N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 135217171
2-[[5-[2-(1H-benzimidazol-2-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 644520
2-[1-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-1H-benzoimidazol-2-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 648058
2-(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 650398
2-{1-[2-(4-Methyl-piperidin-1-yl)-2-oxo-ethyl]-1H-benzoimidazol-2-ylsulfanyl}-N-thiazol-2-yl-acetamide
CID 651393
N-Cyclopentyl-2-(2-thiazol-5-yl-benzoimidazol-1-yl)-acetamide
CID 651621
2-(5-Benzotriazol-1-ylmethyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 653973
N-(1,2-dimethyl-1H-benzimidazol-5-yl)-N'-1,3-thiazol-2-ylurea
CID 893490
2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1432744
N-1,3-benzothiazol-2-yl-2-({5-[(ethylthio)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide
CID 2233856

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 3184406) is 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1nccs1.
What is the InChIKey of 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is YSWRURGCVKBAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8OS2/c1-22-12(8-23-11-5-3-2-4-10(11)18-21-23)19-20-15(22)26-9-13(24)17-14-16-6-7-25-14/h2-7H,8-9H2,1H3,(H,16,17,24).
What are the key properties of 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 386.47 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3184406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).