2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C17H14FN3O2S — CID 7096021

IUPAC2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H14FN3O2S/c1-23-14-5-3-2-4-13(14)16-20-21-17(24-16)19-15(22)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyATRQKUAUXWOFAY-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.53
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 7096021) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID7096021
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1
InChIInChI=1S/C17H14FN3O2S/c1-23-14-5-3-2-4-13(14)16-20-21-17(24-16)19-15(22)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyATRQKUAUXWOFAY-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
2-(4-methoxyphenyl)-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 5082553
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 35591078
2-(4-fluorophenyl)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 1077863
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7096008
N-[5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 976096
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075797
4-bromo-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4562211
2-hydroxy-3-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 122094679
2-[3-(2-methoxyphenyl)phenyl]-N-[5-[4-[5-[[2-[3-(2-methoxyphenyl)phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982588

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 7096021) is 2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is COc1ccccc1-c1nnc(NC(=O)Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ATRQKUAUXWOFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-23-14-5-3-2-4-13(14)16-20-21-17(24-16)19-15(22)10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 343.38 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 7096021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).