4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole

C16H17N3O2S2 — CID 99624382

IUPAC4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole
SMILESc1coc(Cn2c(SC3CCOCC3)nnc2-c2cccs2)c1
InChIInChI=1S/C16H17N3O2S2/c1-3-12(21-7-1)11-19-15(14-4-2-10-22-14)17-18-16(19)23-13-5-8-20-9-6-13/h1-4,7,10,13H,5-6,8-9,11H2
InChIKeyOGBWGMGCIXEUCU-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.92
Rot. Bonds5

About 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole

4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole (PubChem CID 99624382) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole
PubChem CID99624382
Molecular FormulaC16H17N3O2S2
Molecular Weight347.46 g/mol
Exact Mass347.08
IUPAC Name4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole
SMILESc1coc(Cn2c(SC3CCOCC3)nnc2-c2cccs2)c1
InChIInChI=1S/C16H17N3O2S2/c1-3-12(21-7-1)11-19-15(14-4-2-10-22-14)17-18-16(19)23-13-5-8-20-9-6-13/h1-4,7,10,13H,5-6,8-9,11H2
InChIKeyOGBWGMGCIXEUCU-UHFFFAOYSA-N
XLogP3.92
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole 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

3-[(2,6-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole
CID 2043585
(4S)-4-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pentanenitrile
CID 124848532
4-ethyl-5-fluoro-6-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
CID 133420901
N-(4-bromo-3-methylphenyl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2040686
4-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 112785776
2-(furan-2-yl)-4-[[4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 55529697
3-(cyclohexylmethylsulfanyl)-5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazole
CID 78764395
N-(furan-2-ylmethyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 860469
3-cyclopropyl-4-(furan-2-ylmethyl)-5-[(1R,2S)-2-phenylcyclopropyl]sulfanyl-1,2,4-triazole
CID 99785958
(3R)-3-[[4-(furan-2-ylmethyl)-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 135898105
1-(furan-2-ylmethyl)-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310175
3-(oxan-2-ylmethylsulfanyl)-4-phenyl-5-thiophen-2-yl-1,2,4-triazole
CID 3000170

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole?
The IUPAC name of 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole (CID 99624382) is 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole.
What is the SMILES notation for 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole?
The canonical SMILES for 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole is c1coc(Cn2c(SC3CCOCC3)nnc2-c2cccs2)c1.
What is the InChIKey of 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole?
The InChIKey is OGBWGMGCIXEUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-3-12(21-7-1)11-19-15(14-4-2-10-22-14)17-18-16(19)23-13-5-8-20-9-6-13/h1-4,7,10,13H,5-6,8-9,11H2.
What are the key properties of 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole?
4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole has a molecular weight of 347.46 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-3-(oxan-4-ylsulfanyl)-5-thiophen-2-yl-1,2,4-triazole is sourced from PubChem (CID 99624382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).