2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

C12H10F3N3OS — CID 108808572

IUPAC2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(F)c(F)c2F)s1
InChIInChI=1S/C12H10F3N3OS/c1-2-3-8-17-18-12(20-8)16-11(19)6-4-5-7(13)10(15)9(6)14/h4-5H,2-3H2,1H3,(H,16,18,19)
InChIKeyHFCYIZHPBFINCZ-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.16
Rot. Bonds4

About 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide

2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 108808572) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID108808572
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCCCc1nnc(NC(=O)c2ccc(F)c(F)c2F)s1
InChIInChI=1S/C12H10F3N3OS/c1-2-3-8-17-18-12(20-8)16-11(19)6-4-5-7(13)10(15)9(6)14/h4-5H,2-3H2,1H3,(H,16,18,19)
InChIKeyHFCYIZHPBFINCZ-UHFFFAOYSA-N
XLogP3.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)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

2,4-difluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109760
2,4-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78792564
2-bromo-N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 18198071
4-fluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 86851557
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
2-amino-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110485976
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-chlorobenzoyl)benzamide
CID 46541850
2,4-dinitro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099815
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylfuran-3-carboxamide
CID 31039084

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide (CID 108808572) is 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is CCCc1nnc(NC(=O)c2ccc(F)c(F)c2F)s1.
What is the InChIKey of 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is HFCYIZHPBFINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c1-2-3-8-17-18-12(20-8)16-11(19)6-4-5-7(13)10(15)9(6)14/h4-5H,2-3H2,1H3,(H,16,18,19).
What are the key properties of 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide?
2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 301.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 108808572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).