N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

C9H15N5O2S — CID 9378529

IUPACN,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CSc1nncn1C
InChIInChI=1S/C9H15N5O2S/c1-13(2)8(16)4-10-7(15)5-17-9-12-11-6-14(9)3/h6H,4-5H2,1-3H3,(H,10,15)
InChIKeyADXJHPKQFHRZDH-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.89
Rot. Bonds5

About N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide

N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (PubChem CID 9378529) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
PubChem CID9378529
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC NameN,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CSc1nncn1C
InChIInChI=1S/C9H15N5O2S/c1-13(2)8(16)4-10-7(15)5-17-9-12-11-6-14(9)3/h6H,4-5H2,1-3H3,(H,10,15)
InChIKeyADXJHPKQFHRZDH-UHFFFAOYSA-N
XLogP-0.89
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]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

N-cyclopropyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2374457
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 3903717
2-(4-methyl(1,2,4-triazol-3-ylthio))-N-(1,3-thiazolin-2-yl)acetamide
CID 2055093
2-[3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanyl-1,2,4-triazol-4-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 25640156
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 60356822
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78763780
N-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)ethyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71797992
N-[2-(4-methyl-4H-1,2,4-triazol-3-ylthio)ethyl]-(R)-5-oxo-1,4-thiazepane-3-carboxamide
CID 95986292
2-(3-Methylsulfanyl-1,2,4-triazol-4-yl)acetamide
CID 67827880
2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N,N-diethylacetamide
CID 1649714
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2515116
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 2625008

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide (CID 9378529) is N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is CN(C)C(=O)CNC(=O)CSc1nncn1C.
What is the InChIKey of N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
The InChIKey is ADXJHPKQFHRZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-13(2)8(16)4-10-7(15)5-17-9-12-11-6-14(9)3/h6H,4-5H2,1-3H3,(H,10,15).
What are the key properties of N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide?
N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide has a molecular weight of 257.32 g/mol, XLogP of -0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide is sourced from PubChem (CID 9378529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).