4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide

C13H13FN4O3S — CID 51138217

IUPAC4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOCc1nnc(NC(=O)CNC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C13H13FN4O3S/c1-21-7-11-17-18-13(22-11)16-10(19)6-15-12(20)8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,20)(H,16,18,19)
InChIKeyLTVOMXLEZTUEOW-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.19
Rot. Bonds6

About 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 51138217) has the molecular formula C13H13FN4O3S and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID51138217
Molecular FormulaC13H13FN4O3S
Molecular Weight324.34 g/mol
Exact Mass324.07
IUPAC Name4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOCc1nnc(NC(=O)CNC(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C13H13FN4O3S/c1-21-7-11-17-18-13(22-11)16-10(19)6-15-12(20)8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,20)(H,16,18,19)
InChIKeyLTVOMXLEZTUEOW-UHFFFAOYSA-N
XLogP1.19
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 34110789
4-butoxy-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 55527934
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
6-fluoro-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 108802513
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 35540738
4-fluoro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17319861
methyl 2-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 4999273
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 733423
N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193199
2-(2-tert-butylphenoxy)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 733445
4-fluoro-N-(5-prop-2-enyl-1,3,4-thiadiazol-2-yl)benzamide
CID 7370765
N-[2-[[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 134706263

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide (CID 51138217) is 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide is COCc1nnc(NC(=O)CNC(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is LTVOMXLEZTUEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3S/c1-21-7-11-17-18-13(22-11)16-10(19)6-15-12(20)8-2-4-9(14)5-3-8/h2-5H,6-7H2,1H3,(H,15,20)(H,16,18,19).
What are the key properties of 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 324.34 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 51138217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).