N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide

C17H14FN3O2S — CID 122150828

IUPACN-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
SMILESCOc1ccc(-c2nsc(NC(=O)c3ccccc3C)n2)cc1F
InChIInChI=1S/C17H14FN3O2S/c1-10-5-3-4-6-12(10)16(22)20-17-19-15(21-24-17)11-7-8-14(23-2)13(18)9-11/h3-9H,1-2H3,(H,19,20,21,22)
InChIKeyUGSKMUSZBKTJHI-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.91
Rot. Bonds4

About N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide

N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide (PubChem CID 122150828) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
PubChem CID122150828
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC NameN-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
SMILESCOc1ccc(-c2nsc(NC(=O)c3ccccc3C)n2)cc1F
InChIInChI=1S/C17H14FN3O2S/c1-10-5-3-4-6-12(10)16(22)20-17-19-15(21-24-17)11-7-8-14(23-2)13(18)9-11/h3-9H,1-2H3,(H,19,20,21,22)
InChIKeyUGSKMUSZBKTJHI-UHFFFAOYSA-N
XLogP3.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide 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-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
N-[3-[1-(3,4-dimethoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 20941442
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345269
1-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122090841
4-chloro-N-[3-(3-chlorophenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide
CID 154799929
3,4,5-trimethoxy-N-[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35182220
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
1-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090838
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 1395648

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide?
The IUPAC name of N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide (CID 122150828) is N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide?
The canonical SMILES for N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide is COc1ccc(-c2nsc(NC(=O)c3ccccc3C)n2)cc1F.
What is the InChIKey of N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide?
The InChIKey is UGSKMUSZBKTJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-10-5-3-4-6-12(10)16(22)20-17-19-15(21-24-17)11-7-8-14(23-2)13(18)9-11/h3-9H,1-2H3,(H,19,20,21,22).
What are the key properties of N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide?
N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide has a molecular weight of 343.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 122150828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).