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

C13H19N5OS — CID 63999348

IUPAC2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1cc(C(C)(C)N)nn1
InChIInChI=1S/C13H19N5OS/c1-13(2,14)11-8-18(16-15-11)9-12(19)17(3)7-10-5-4-6-20-10/h4-6,8H,7,9,14H2,1-3H3
InChIKeyZBEDEJDLBHZKTN-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.19
Rot. Bonds5

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

2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 63999348) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID63999348
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)Cn1cc(C(C)(C)N)nn1
InChIInChI=1S/C13H19N5OS/c1-13(2,14)11-8-18(16-15-11)9-12(19)17(3)7-10-5-4-6-20-10/h4-6,8H,7,9,14H2,1-3H3
InChIKeyZBEDEJDLBHZKTN-UHFFFAOYSA-N
XLogP1.19
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62402251
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 80742497
2-(benzotriazol-1-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 47007781
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide
CID 63999942
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79652724
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 63997330
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 120663923
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 24522843

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 63999348) is 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)Cn1cc(C(C)(C)N)nn1.
What is the InChIKey of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ZBEDEJDLBHZKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-13(2,14)11-8-18(16-15-11)9-12(19)17(3)7-10-5-4-6-20-10/h4-6,8H,7,9,14H2,1-3H3.
What are the key properties of 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 63999348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).