N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

C12H16N4OS2 — CID 64512159

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1nc(CN(C)C(=O)CSCc2cccs2)n[nH]1
InChIInChI=1S/C12H16N4OS2/c1-9-13-11(15-14-9)6-16(2)12(17)8-18-7-10-4-3-5-19-10/h3-5H,6-8H2,1-2H3,(H,13,14,15)
InChIKeyVFWFMEMSAJFYHS-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.07
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 64512159) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID64512159
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESCc1nc(CN(C)C(=O)CSCc2cccs2)n[nH]1
InChIInChI=1S/C12H16N4OS2/c1-9-13-11(15-14-9)6-16(2)12(17)8-18-7-10-4-3-5-19-10/h3-5H,6-8H2,1-2H3,(H,13,14,15)
InChIKeyVFWFMEMSAJFYHS-UHFFFAOYSA-N
XLogP2.07
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide with MolForge

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Related Compounds

N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64512383
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 63939846
2-[methyl-[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]acetic acid
CID 43239816
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 134058104
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylacetamide
CID 64511227
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64517864
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]furan-3-carboxamide
CID 64510807
N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 112691386
N,1-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyrrole-2-carboxamide
CID 64510991
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 64512735
2-(2-aminophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64511151

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 64512159) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is Cc1nc(CN(C)C(=O)CSCc2cccs2)n[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is VFWFMEMSAJFYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-9-13-11(15-14-9)6-16(2)12(17)8-18-7-10-4-3-5-19-10/h3-5H,6-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 296.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 64512159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).