3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide

C14H10F2N4O2S2 — CID 135357520

IUPAC3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide
SMILESCn1c(Sc2c(F)cc(C(=O)NO)cc2F)nnc1-c1cccs1
InChIInChI=1S/C14H10F2N4O2S2/c1-20-12(10-3-2-4-23-10)17-18-14(20)24-11-8(15)5-7(6-9(11)16)13(21)19-22/h2-6,22H,1H3,(H,19,21)
InChIKeyZSUMKTAJMGOPCF-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.09
Rot. Bonds4

About 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide

3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide (PubChem CID 135357520) has the molecular formula C14H10F2N4O2S2 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide
PubChem CID135357520
Molecular FormulaC14H10F2N4O2S2
Molecular Weight368.39 g/mol
Exact Mass368.02
IUPAC Name3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide
SMILESCn1c(Sc2c(F)cc(C(=O)NO)cc2F)nnc1-c1cccs1
InChIInChI=1S/C14H10F2N4O2S2/c1-20-12(10-3-2-4-23-10)17-18-14(20)24-11-8(15)5-7(6-9(11)16)13(21)19-22/h2-6,22H,1H3,(H,19,21)
InChIKeyZSUMKTAJMGOPCF-UHFFFAOYSA-N
XLogP3.09
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide 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-hydroxy-4-((5-(thiophen-2-yl)-1H-tetrazol-1-yl)methyl)benzamide
CID 135357843
4-[[5-[3-(azepan-1-ylmethyl)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide
CID 135357492
3,5-difluoro-N-hydroxy-4-[(5-thiophen-2-yltetrazol-1-yl)methyl]benzamide
CID 135357552
N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 135357669
3,5-difluoro-N-hydroxy-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]benzamide
CID 135357701
2-(4-Methyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone
CID 1071179
2-[(4-Ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CID 2138929
2-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}-1-(4-fluorophenyl)ethanone
CID 1192946
2-[(4-Cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-difluorophenyl)propan-1-one
CID 16294026
N-hydroxy-4-[(5-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide
CID 171345423
N-hydroxy-4-[(3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]benzamide
CID 171351805
3-Fluoro-N-{[5-({2-[5-(4-fluorophenyl)-3-(thiophen-2-YL)-4,5-dihydro-1H-pyrazol-1-YL]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-YL]methyl}benzamide
CID 4186938

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The IUPAC name of 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide (CID 135357520) is 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide is Cn1c(Sc2c(F)cc(C(=O)NO)cc2F)nnc1-c1cccs1.
What is the InChIKey of 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide?
The InChIKey is ZSUMKTAJMGOPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O2S2/c1-20-12(10-3-2-4-23-10)17-18-14(20)24-11-8(15)5-7(6-9(11)16)13(21)19-22/h2-6,22H,1H3,(H,19,21).
What are the key properties of 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide?
3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide has a molecular weight of 368.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-hydroxy-4-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]benzamide is sourced from PubChem (CID 135357520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).