5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

C14H13FN4OS2 — CID 8973524

IUPAC5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2noc(-c3ccc(F)cc3)c2C)s1
InChIInChI=1S/C14H13FN4OS2/c1-8-11(7-21-14-18-17-13(16-2)22-14)19-20-12(8)9-3-5-10(15)6-4-9/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyOMPRPMWZFXQCCK-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.97
Rot. Bonds5

About 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 8973524) has the molecular formula C14H13FN4OS2 and a molecular weight of 336.42 g/mol. Its IUPAC name is 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID8973524
Molecular FormulaC14H13FN4OS2
Molecular Weight336.42 g/mol
Exact Mass336.05
IUPAC Name5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2noc(-c3ccc(F)cc3)c2C)s1
InChIInChI=1S/C14H13FN4OS2/c1-8-11(7-21-14-18-17-13(16-2)22-14)19-20-12(8)9-3-5-10(15)6-4-9/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyOMPRPMWZFXQCCK-UHFFFAOYSA-N
XLogP3.97
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-fluorophenyl)-4-methyl-3-(pyrimidin-2-ylsulfanylmethyl)-1,2-oxazole
CID 8649369
2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 8845401
5-(4-fluorophenyl)-4-methyl-3-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
CID 8881393
3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole
CID 8750407
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 17421080
N-[(4-fluorophenyl)methyl]-5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 55996760
N-(2-fluorophenyl)-5-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 86901024
5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
N-[(4-fluorophenyl)methyl]-5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 24666079
5-[(3,4-dichlorophenyl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 27789001
N-(5-fluoro-2-methylphenyl)-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 18199596
2-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-3-propan-2-ylquinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 8973524) is 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(SCc2noc(-c3ccc(F)cc3)c2C)s1.
What is the InChIKey of 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OMPRPMWZFXQCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS2/c1-8-11(7-21-14-18-17-13(16-2)22-14)19-20-12(8)9-3-5-10(15)6-4-9/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 336.42 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8973524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).