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

C15H13FN4OS2 — CID 33343032

IUPACN-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(-c2nc(CSc3nnc(NC4CC4)s3)co2)c1
InChIInChI=1S/C15H13FN4OS2/c16-10-3-1-2-9(6-10)13-17-12(7-21-13)8-22-15-20-19-14(23-15)18-11-4-5-11/h1-3,6-7,11H,4-5,8H2,(H,18,19)
InChIKeyPEQJNNOIASNGLK-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.20
Rot. Bonds6

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

N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 33343032) has the molecular formula C15H13FN4OS2 and a molecular weight of 348.43 g/mol. Its IUPAC name is N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID33343032
Molecular FormulaC15H13FN4OS2
Molecular Weight348.43 g/mol
Exact Mass348.05
IUPAC NameN-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESFc1cccc(-c2nc(CSc3nnc(NC4CC4)s3)co2)c1
InChIInChI=1S/C15H13FN4OS2/c16-10-3-1-2-9(6-10)13-17-12(7-21-13)8-22-15-20-19-14(23-15)18-11-4-5-11/h1-3,6-7,11H,4-5,8H2,(H,18,19)
InChIKeyPEQJNNOIASNGLK-UHFFFAOYSA-N
XLogP4.20
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 33343032) is N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is Fc1cccc(-c2nc(CSc3nnc(NC4CC4)s3)co2)c1.
What is the InChIKey of N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PEQJNNOIASNGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS2/c16-10-3-1-2-9(6-10)13-17-12(7-21-13)8-22-15-20-19-14(23-15)18-11-4-5-11/h1-3,6-7,11H,4-5,8H2,(H,18,19).
What are the key properties of N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 348.43 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 33343032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).