N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C10H14N6OS — CID 66213821

IUPACN-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNCc1cn(Cc2csc(NC(C)=O)n2)nn1
InChIInChI=1S/C10H14N6OS/c1-7(17)12-10-13-9(6-18-10)5-16-4-8(3-11-2)14-15-16/h4,6,11H,3,5H2,1-2H3,(H,12,13,17)
InChIKeyNUXIABINVSAMGR-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.46
Rot. Bonds5

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

N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 66213821) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID66213821
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC NameN-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCNCc1cn(Cc2csc(NC(C)=O)n2)nn1
InChIInChI=1S/C10H14N6OS/c1-7(17)12-10-13-9(6-18-10)5-16-4-8(3-11-2)14-15-16/h4,6,11H,3,5H2,1-2H3,(H,12,13,17)
InChIKeyNUXIABINVSAMGR-UHFFFAOYSA-N
XLogP0.46
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 62401102
3-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107460976
1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62060397
7-[4-(methylaminomethyl)triazol-1-yl]heptan-2-one
CID 142439684
N-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66192160
2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]acetic acid
CID 107461617
N-methyl-2-[4-(methylaminomethyl)triazol-1-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 62428294
N-[4-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 81490722
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 103728439
N-[4-[(4,4-dimethyl-3-oxo-1,2-oxazolidin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 134104628
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]acetamide
CID 47263059

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 66213821) is N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CNCc1cn(Cc2csc(NC(C)=O)n2)nn1.
What is the InChIKey of N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NUXIABINVSAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-7(17)12-10-13-9(6-18-10)5-16-4-8(3-11-2)14-15-16/h4,6,11H,3,5H2,1-2H3,(H,12,13,17).
What are the key properties of N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 266.33 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 66213821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).