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

C13H11FN4OS2 — CID 119041995

IUPAC5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2ncc(-c3ccccc3F)o2)s1
InChIInChI=1S/C13H11FN4OS2/c1-15-12-17-18-13(21-12)20-7-11-16-6-10(19-11)8-4-2-3-5-9(8)14/h2-6H,7H2,1H3,(H,15,17)
InChIKeyYOUPFQAVLDJFCF-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.67
Rot. Bonds5

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

5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 119041995) has the molecular formula C13H11FN4OS2 and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID119041995
Molecular FormulaC13H11FN4OS2
Molecular Weight322.39 g/mol
Exact Mass322.04
IUPAC Name5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2ncc(-c3ccccc3F)o2)s1
InChIInChI=1S/C13H11FN4OS2/c1-15-12-17-18-13(21-12)20-7-11-16-6-10(19-11)8-4-2-3-5-9(8)14/h2-6H,7H2,1H3,(H,15,17)
InChIKeyYOUPFQAVLDJFCF-UHFFFAOYSA-N
XLogP3.67
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 119041995) is 5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(SCc2ncc(-c3ccccc3F)o2)s1.
What is the InChIKey of 5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YOUPFQAVLDJFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4OS2/c1-15-12-17-18-13(21-12)20-7-11-16-6-10(19-11)8-4-2-3-5-9(8)14/h2-6H,7H2,1H3,(H,15,17).
What are the key properties of 5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 322.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119041995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).