N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide

C15H20N4O3S — CID 91780129

IUPACN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2ccsc2)C1
InChIInChI=1S/C15H20N4O3S/c1-22-4-3-19-13(8-20)17-18-14(19)11-6-12(7-11)16-15(21)10-2-5-23-9-10/h2,5,9,11-12,20H,3-4,6-8H2,1H3,(H,16,21)
InChIKeyRCBMIVLOZVAPQM-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.15
Rot. Bonds7

About N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide

N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide (PubChem CID 91780129) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
PubChem CID91780129
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide
SMILESCOCCn1c(CO)nnc1C1CC(NC(=O)c2ccsc2)C1
InChIInChI=1S/C15H20N4O3S/c1-22-4-3-19-13(8-20)17-18-14(19)11-6-12(7-11)16-15(21)10-2-5-23-9-10/h2,5,9,11-12,20H,3-4,6-8H2,1H3,(H,16,21)
InChIKeyRCBMIVLOZVAPQM-UHFFFAOYSA-N
XLogP1.15
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91774265
4-hydroxy-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3,5-dimethylbenzamide
CID 91760457
5-chloro-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 91785731
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-methoxy-4-methylbenzamide
CID 91794193
2-amino-N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-4-methylpyrimidine-5-carboxamide
CID 91780193
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 91791621
N-[3-(hydroxymethyl)cyclobutyl]thiophene-3-carboxamide
CID 164653916
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
CID 91789799
N-[(6S)-1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]thiophene-3-carboxamide
CID 97389930
[4-(2-methoxyethyl)-5-(5-methyloxolan-3-yl)-1,2,4-triazol-3-yl]methanol
CID 114827237
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-methyl-1-benzofuran-5-carboxamide
CID 91785541
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-5-fluoropyridine-3-carboxamide
CID 91796910

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide (CID 91780129) is N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide is COCCn1c(CO)nnc1C1CC(NC(=O)c2ccsc2)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide?
The InChIKey is RCBMIVLOZVAPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-22-4-3-19-13(8-20)17-18-14(19)11-6-12(7-11)16-15(21)10-2-5-23-9-10/h2,5,9,11-12,20H,3-4,6-8H2,1H3,(H,16,21).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide?
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 91780129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).