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

C14H19N5OS — CID 66194366

IUPAC2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H19N5OS/c1-18(7-11-4-5-21-10-11)14(20)9-19-8-13(16-17-19)6-15-12-2-3-12/h4-5,8,10,12,15H,2-3,6-7,9H2,1H3
InChIKeyJGPIKOJBCARMRU-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.25
Rot. Bonds7

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

2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 66194366) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
PubChem CID66194366
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
SMILESCN(Cc1ccsc1)C(=O)Cn1cc(CNC2CC2)nn1
InChIInChI=1S/C14H19N5OS/c1-18(7-11-4-5-21-10-11)14(20)9-19-8-13(16-17-19)6-15-12-2-3-12/h4-5,8,10,12,15H,2-3,6-7,9H2,1H3
InChIKeyJGPIKOJBCARMRU-UHFFFAOYSA-N
XLogP1.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.25
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
N-cyclopropyl-1-methyl-N-(thiophen-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 72717902
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-{6-azaspiro[2.5]octan-1-yl}-1-methyl-N-[(thiophen-3-yl)methyl]-1H-1,2,3-triazole-4-carboxamide hydrochloride
CID 132399709
N-[(1R)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide
CID 53378081
N-[(1S)-1-[1-(1-aminocyclopropyl)triazol-4-yl]ethyl]thiophene-3-carboxamide
CID 69925778
N-[(1R)-1-[1-(1-aminocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide
CID 69926147
N-[1-[1-(1-cyanocyclopropyl)triazol-4-yl]-2-methylsulfanylethyl]thiophene-3-carboxamide
CID 76028328
N-[(1S)-1-[1-(1-cyanocyclopropyl)triazol-4-yl]ethyl]thiophene-3-carboxamide
CID 89643182
N-[[1-(1-cyanocyclopropyl)triazol-4-yl]methyl]thiophene-3-carboxamide
CID 123747735

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide (CID 66194366) is 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is CN(Cc1ccsc1)C(=O)Cn1cc(CNC2CC2)nn1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is JGPIKOJBCARMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-18(7-11-4-5-21-10-11)14(20)9-19-8-13(16-17-19)6-15-12-2-3-12/h4-5,8,10,12,15H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide?
2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 66194366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).