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

C14H12FN5OS2 — CID 4170205

IUPAC2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2-c2ccc(F)cc2)s1
InChIInChI=1S/C14H12FN5OS2/c1-9-18-19-13(23-9)17-12(21)8-22-14-16-6-7-20(14)11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,17,19,21)
InChIKeyXAIHGBYHUGZVTI-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.90
Rot. Bonds5

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

2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 4170205) has the molecular formula C14H12FN5OS2 and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID4170205
Molecular FormulaC14H12FN5OS2
Molecular Weight349.42 g/mol
Exact Mass349.05
IUPAC Name2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CSc2nccn2-c2ccc(F)cc2)s1
InChIInChI=1S/C14H12FN5OS2/c1-9-18-19-13(23-9)17-12(21)8-22-14-16-6-7-20(14)11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,17,19,21)
InChIKeyXAIHGBYHUGZVTI-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 1994361
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)acetamide
CID 2816029
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
CID 3851861
2-{4-Cyclohexyl-5-[(4-fluoro-phenylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 649617
2-{[1-(3-methylphenyl)-1H-imidazol-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 866695
2-[(4-ethyl-5-{2-[(4-fluorophenyl)amino]-2-oxoethyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3164774
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]acetamide
CID 3236954
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[[4-(4-fluorophenyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3244487
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4151821
2-{[4-ethyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 6470620
2-[(5-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 6497759
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[[1-(phenylmethyl)-2-imidazolyl]thio]acetamide
CID 7150995

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 4170205) is 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CSc2nccn2-c2ccc(F)cc2)s1.
What is the InChIKey of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XAIHGBYHUGZVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5OS2/c1-9-18-19-13(23-9)17-12(21)8-22-14-16-6-7-20(14)11-4-2-10(15)3-5-11/h2-7H,8H2,1H3,(H,17,19,21).
What are the key properties of 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 4170205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).