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

C11H15N5OS — CID 55029882

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H15N5OS/c1-15(5-9-2-3-18-8-9)11(17)7-16-6-10(4-12)13-14-16/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyFICIGCBQGGHLFQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.46
Rot. Bonds5

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

2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 55029882) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID55029882
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H15N5OS/c1-15(5-9-2-3-18-8-9)11(17)7-16-6-10(4-12)13-14-16/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyFICIGCBQGGHLFQ-UHFFFAOYSA-N
XLogP0.46
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(1-pyrazol-1-ylpropan-2-ylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 53529910
1-[2-(diethylamino)-2-oxoethyl]-N-(3-thienylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 42404427
N-methyl-2-(2-pyrazol-1-ylethylamino)-N-(thiophen-3-ylmethyl)acetamide
CID 56781302
N-methyl-1-{1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methanamine bis(trifluoroacetate)
CID 31162386
N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 72717902
N-(2-methoxyethyl)-1-methyl-N-(thiophen-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 73167959
4-(Methylsulfanylmethyl)-1-(thiophen-3-ylmethyl)triazole
CID 68515541
N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide
CID 123747735
N-[(1S)-1-[1-(1-carbamoylcyclopropyl)triazol-4-yl]ethyl]thiophene-3-carboxamide
CID 144245684
ethane;formamide;N-[[1-(1-methylcyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide
CID 144245716
N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide;ethane
CID 144245814
N-isopropyl-1-[1-(3-thienylmethyl)-4-piperidinyl]-1H-1,2,3-triazole-4-carboxamide
CID 26324564

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 55029882) is 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is FICIGCBQGGHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-15(5-9-2-3-18-8-9)11(17)7-16-6-10(4-12)13-14-16/h2-3,6,8H,4-5,7,12H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 265.34 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 55029882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).