N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

C14H14N4O2S — CID 72717863

IUPACN-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccsc2)Cc2ccco2)nn1
InChIInChI=1S/C14H14N4O2S/c1-17-9-13(15-16-17)14(19)18(7-11-4-6-21-10-11)8-12-3-2-5-20-12/h2-6,9-10H,7-8H2,1H3
InChIKeyGHERJHGJHWMOQW-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.31
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide

N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (PubChem CID 72717863) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
PubChem CID72717863
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)N(Cc2ccsc2)Cc2ccco2)nn1
InChIInChI=1S/C14H14N4O2S/c1-17-9-13(15-16-17)14(19)18(7-11-4-6-21-10-11)8-12-3-2-5-20-12/h2-6,9-10H,7-8H2,1H3
InChIKeyGHERJHGJHWMOQW-UHFFFAOYSA-N
XLogP2.31
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-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

N-benzyl-N-(furan-2-ylmethyl)-3-thiophen-3-ylpropanamide
CID 134013428
[5-[[furan-2-ylmethyl(thiophen-3-ylmethyl)amino]methyl]furan-2-yl]methanol
CID 46992645
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 31836479
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 99186712
N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 34907261
2-[4-[methyl(thiophen-3-ylmethyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289790
N-(furan-2-ylmethyl)-4-methyl-2-thiophen-3-yl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 31834733
N-(furan-2-ylmethyl)-5-phenyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 31835199
N-(oxolan-2-ylmethyl)-1-phenyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide
CID 56912083
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
N-benzyl-5-(furan-2-yl)-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 37427411
N,N-bis(furan-2-ylmethyl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46599486

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide (CID 72717863) is N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is Cn1cc(C(=O)N(Cc2ccsc2)Cc2ccco2)nn1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is GHERJHGJHWMOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-17-9-13(15-16-17)14(19)18(7-11-4-6-21-10-11)8-12-3-2-5-20-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide?
N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 72717863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).