4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide

C12H10FN3OS — CID 7370765

IUPAC4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESC=CCc1nnc(NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C12H10FN3OS/c1-2-3-10-15-16-12(18-10)14-11(17)8-4-6-9(13)7-5-8/h2,4-7H,1,3H2,(H,14,16,17)
InChIKeyYUWQQZYPIPKIQN-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.66
Rot. Bonds4

About 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide

4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 7370765) has the molecular formula C12H10FN3OS and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID7370765
Molecular FormulaC12H10FN3OS
Molecular Weight263.30 g/mol
Exact Mass263.05
IUPAC Name4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESC=CCc1nnc(NC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C12H10FN3OS/c1-2-3-10-15-16-12(18-10)14-11(17)8-4-6-9(13)7-5-8/h2,4-7H,1,3H2,(H,14,16,17)
InChIKeyYUWQQZYPIPKIQN-UHFFFAOYSA-N
XLogP2.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-(5-prop-2-enyl-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

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
4-fluoro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 741034
4-fluoro-N-[5-(2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 71946415
N-[5-[(4-chlorophenyl)sulfanylmethyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 23966087
N-[5-[(6-chloro-3-pyridinyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 11291008
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 2258431
4-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319861
4-fluoro-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4639958
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 51138217

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide (CID 7370765) is 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide is C=CCc1nnc(NC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is YUWQQZYPIPKIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3OS/c1-2-3-10-15-16-12(18-10)14-11(17)8-4-6-9(13)7-5-8/h2,4-7H,1,3H2,(H,14,16,17).
What are the key properties of 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide?
4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 263.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 7370765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).