5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C10H9FN4OS — CID 115597803

IUPAC5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(N)ccc2F)s1
InChIInChI=1S/C10H9FN4OS/c1-5-14-15-10(17-5)13-9(16)7-4-6(12)2-3-8(7)11/h2-4H,12H2,1H3,(H,13,15,16)
InChIKeyGRQJIKUEZFCCOM-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.82
Rot. Bonds2

About 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 115597803) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID115597803
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cc(N)ccc2F)s1
InChIInChI=1S/C10H9FN4OS/c1-5-14-15-10(17-5)13-9(16)7-4-6(12)2-3-8(7)11/h2-4H,12H2,1H3,(H,13,15,16)
InChIKeyGRQJIKUEZFCCOM-UHFFFAOYSA-N
XLogP1.82
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-(5-methyl-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

5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
CID 118304626
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide
CID 79512495
2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16563023
cyclopropylmethyl-[(1R,2S)-2-[4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304287
5-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 115597844
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074
5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 87008668
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-sulfamoylbenzamide
CID 31265617
5-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
CID 118304597
5-amino-2-fluoro-N-(2-fluorophenyl)benzamide
CID 43510738
2-[[5-[(2-fluoro-5-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 62516686
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 115597803) is 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2cc(N)ccc2F)s1.
What is the InChIKey of 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is GRQJIKUEZFCCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c1-5-14-15-10(17-5)13-9(16)7-4-6(12)2-3-8(7)11/h2-4H,12H2,1H3,(H,13,15,16).
What are the key properties of 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 252.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 115597803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).