N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide

C19H17FN4O3S — CID 17193199

IUPACN-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2nnc(NC(=O)c3ccc(F)cc3)s2)c1
InChIInChI=1S/C19H17FN4O3S/c1-27-15-4-2-3-13(11-15)17(25)21-10-9-16-23-24-19(28-16)22-18(26)12-5-7-14(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyZQXFJDBIMNUQJK-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.91
Rot. Bonds7

About N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide

N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide (PubChem CID 17193199) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
PubChem CID17193199
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC NameN-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCc2nnc(NC(=O)c3ccc(F)cc3)s2)c1
InChIInChI=1S/C19H17FN4O3S/c1-27-15-4-2-3-13(11-15)17(25)21-10-9-16-23-24-19(28-16)22-18(26)12-5-7-14(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyZQXFJDBIMNUQJK-UHFFFAOYSA-N
XLogP2.91
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[(3-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193496
N-[2-[5-[(4-benzamidobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17193834
N-[2-[5-(3-chloropropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 94831015
3-methoxy-N-[2-[5-[[2-(2-methoxyphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193300
2,5-dichloro-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193292
2-ethylsulfanyl-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 17193614
N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]-2-methyl-3,5-dinitrobenzamide
CID 17193420
2-chloro-N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193200
3-methoxy-N-[2-[5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193850
N-[2-[5-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 17225799
3-methoxy-N-[2-[5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193532
1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17223545

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide (CID 17193199) is N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCc2nnc(NC(=O)c3ccc(F)cc3)s2)c1.
What is the InChIKey of N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide?
The InChIKey is ZQXFJDBIMNUQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c1-27-15-4-2-3-13(11-15)17(25)21-10-9-16-23-24-19(28-16)22-18(26)12-5-7-14(20)8-6-12/h2-8,11H,9-10H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide?
N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide has a molecular weight of 400.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 17193199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).