1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone

C9H9N3O2S — CID 104651883

IUPAC1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(Sc2nncn2C)o1
InChIInChI=1S/C9H9N3O2S/c1-6(13)7-3-4-8(14-7)15-9-11-10-5-12(9)2/h3-5H,1-2H3
InChIKeyPUNIQKDVWSUUCN-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.76
Rot. Bonds3

About 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone

1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone (PubChem CID 104651883) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
PubChem CID104651883
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(Sc2nncn2C)o1
InChIInChI=1S/C9H9N3O2S/c1-6(13)7-3-4-8(14-7)15-9-11-10-5-12(9)2/h3-5H,1-2H3
InChIKeyPUNIQKDVWSUUCN-UHFFFAOYSA-N
XLogP1.76
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone 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

1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone
CID 104651968
N,N-dimethyl-3-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]propan-1-amine
CID 170867227
[4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 131947620
N-ethyl-2-[(3S)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]morpholin-3-yl]acetamide
CID 95870932
(3R,4R)-4-[ethyl-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]amino]-1,1-dioxothiolan-3-ol
CID 46998402
5-(methoxymethyl)-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]furan-2-carboxamide
CID 78835799
1-[3-bromo-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanone
CID 55131692
2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]acetic acid
CID 105345060
3-[5-(1-cyclopentylimidazol-2-yl)furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 50952972
[4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 134707994
1-[5-(2,5-dimethylphenyl)sulfanylfuran-2-yl]ethanone
CID 104651891
4-[[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methylamino]methyl]-1,3-thiazol-2-amine
CID 131898308

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone (CID 104651883) is 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone is CC(=O)c1ccc(Sc2nncn2C)o1.
What is the InChIKey of 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone?
The InChIKey is PUNIQKDVWSUUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-6(13)7-3-4-8(14-7)15-9-11-10-5-12(9)2/h3-5H,1-2H3.
What are the key properties of 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone?
1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone has a molecular weight of 223.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]ethanone is sourced from PubChem (CID 104651883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).