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

C15H16N4OS2 — CID 9442192

IUPAC5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(SCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C15H16N4OS2/c1-10(2)17-14-18-19-15(22-14)21-9-13-16-8-12(20-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyOVMUABNRMZWFSO-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.31
Rot. Bonds6

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

5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 9442192) has the molecular formula C15H16N4OS2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID9442192
Molecular FormulaC15H16N4OS2
Molecular Weight332.45 g/mol
Exact Mass332.08
IUPAC Name5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(SCc2ncc(-c3ccccc3)o2)s1
InChIInChI=1S/C15H16N4OS2/c1-10(2)17-14-18-19-15(22-14)21-9-13-16-8-12(20-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyOVMUABNRMZWFSO-UHFFFAOYSA-N
XLogP4.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 9442192) is 5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(SCc2ncc(-c3ccccc3)o2)s1.
What is the InChIKey of 5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is OVMUABNRMZWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS2/c1-10(2)17-14-18-19-15(22-14)21-9-13-16-8-12(20-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 332.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9442192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).