2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide

C11H8FN5OS — CID 114913838

IUPAC2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide
SMILESNCC#Cc1ccc(F)cc1C(=O)Nc1nnns1
InChIInChI=1S/C11H8FN5OS/c12-8-4-3-7(2-1-5-13)9(6-8)10(18)14-11-15-16-17-19-11/h3-4,6H,5,13H2,(H,14,15,17,18)
InChIKeyLPVOTPDDDRAODA-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.63
Rot. Bonds2

About 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide

2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide (PubChem CID 114913838) has the molecular formula C11H8FN5OS and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide.

Molecular Properties

Compound Name2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide
PubChem CID114913838
Molecular FormulaC11H8FN5OS
Molecular Weight277.28 g/mol
Exact Mass277.04
IUPAC Name2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide
SMILESNCC#Cc1ccc(F)cc1C(=O)Nc1nnns1
InChIInChI=1S/C11H8FN5OS/c12-8-4-3-7(2-1-5-13)9(6-8)10(18)14-11-15-16-17-19-11/h3-4,6H,5,13H2,(H,14,15,17,18)
InChIKeyLPVOTPDDDRAODA-UHFFFAOYSA-N
XLogP0.63
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-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-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-5-fluorobenzamide
CID 83114793
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
2-[[2-(3-aminoprop-1-ynyl)-5-fluorobenzoyl]amino]ethyl carbamate
CID 83203785
2-(3-aminoprop-1-ynyl)-4-fluoro-N-(5-fluoro-2-pyridinyl)benzamide
CID 65480491
2-(3-aminoprop-1-ynyl)-5-fluoro-N-pentan-2-ylbenzamide
CID 60821499
2-(3-aminoprop-1-ynyl)-5-fluoro-N-piperidin-1-ylbenzamide
CID 83022965
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(3-aminoprop-1-ynyl)-5-fluorobenzamide
CID 106240734
2-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-5-fluorobenzamide
CID 60822341
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(1-methylcyclopentyl)benzamide
CID 64688471
2-(3-aminoprop-1-ynyl)-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 60822004
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide
CID 114913730
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(1,3-thiazol-2-yl)benzamide
CID 60815649

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide?
The IUPAC name of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide (CID 114913838) is 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide.
What is the SMILES notation for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide?
The canonical SMILES for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide is NCC#Cc1ccc(F)cc1C(=O)Nc1nnns1.
What is the InChIKey of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide?
The InChIKey is LPVOTPDDDRAODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5OS/c12-8-4-3-7(2-1-5-13)9(6-8)10(18)14-11-15-16-17-19-11/h3-4,6H,5,13H2,(H,14,15,17,18).
What are the key properties of 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide?
2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide has a molecular weight of 277.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-1-ynyl)-5-fluoro-N-(thiatriazol-5-yl)benzamide is sourced from PubChem (CID 114913838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).