N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide

C12H11FN4OS2 — CID 54787169

IUPACN-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide
SMILESCCc1nnc(NC(=S)NC(=O)c2ccccc2F)s1
InChIInChI=1S/C12H11FN4OS2/c1-2-9-16-17-12(20-9)15-11(19)14-10(18)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H2,14,15,17,18,19)
InChIKeyZMCBPCLHUGJNND-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.37
Rot. Bonds3

About N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide

N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide (PubChem CID 54787169) has the molecular formula C12H11FN4OS2 and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide
PubChem CID54787169
Molecular FormulaC12H11FN4OS2
Molecular Weight310.38 g/mol
Exact Mass310.04
IUPAC NameN-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide
SMILESCCc1nnc(NC(=S)NC(=O)c2ccccc2F)s1
InChIInChI=1S/C12H11FN4OS2/c1-2-9-16-17-12(20-9)15-11(19)14-10(18)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H2,14,15,17,18,19)
InChIKeyZMCBPCLHUGJNND-UHFFFAOYSA-N
XLogP2.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide 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-dichloro-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 54787210
N-[(2R)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 52892709
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-phenoxyacetamide
CID 960876
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
2-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319851
5-bromo-2-butoxy-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 54787240
2-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluorobenzamide
CID 113250709
2-fluoro-N-[2-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 55551720
(E)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 54787180
2-[(2-fluorobenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 4950387
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide?
The IUPAC name of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide (CID 54787169) is N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide?
The canonical SMILES for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide is CCc1nnc(NC(=S)NC(=O)c2ccccc2F)s1.
What is the InChIKey of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide?
The InChIKey is ZMCBPCLHUGJNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4OS2/c1-2-9-16-17-12(20-9)15-11(19)14-10(18)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H2,14,15,17,18,19).
What are the key properties of N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide?
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide has a molecular weight of 310.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]-2-fluorobenzamide is sourced from PubChem (CID 54787169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).