N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide

C12H17N5OS — CID 66213628

IUPACN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCNCc1cn(CC(=O)N(C)Cc2ccsc2)nn1
InChIInChI=1S/C12H17N5OS/c1-13-5-11-7-17(15-14-11)8-12(18)16(2)6-10-3-4-19-9-10/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyBRSYFQUZBRHYFC-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.72
Rot. Bonds6

About N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide

N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 66213628) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID66213628
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCNCc1cn(CC(=O)N(C)Cc2ccsc2)nn1
InChIInChI=1S/C12H17N5OS/c1-13-5-11-7-17(15-14-11)8-12(18)16(2)6-10-3-4-19-9-10/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyBRSYFQUZBRHYFC-UHFFFAOYSA-N
XLogP0.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 66213628) is N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide is CNCc1cn(CC(=O)N(C)Cc2ccsc2)nn1.
What is the InChIKey of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is BRSYFQUZBRHYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-13-5-11-7-17(15-14-11)8-12(18)16(2)6-10-3-4-19-9-10/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 66213628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).