5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine

C13H19N3OS2 — CID 22971176

IUPAC5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCc1cnc(CSc2cnc(NCC(C)C)s2)o1
InChIInChI=1S/C13H19N3OS2/c1-4-10-6-14-11(17-10)8-18-12-7-16-13(19-12)15-5-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyXEQPEXDYCWMKNA-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.05
Rot. Bonds7

About 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine

5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine (PubChem CID 22971176) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
PubChem CID22971176
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine
SMILESCCc1cnc(CSc2cnc(NCC(C)C)s2)o1
InChIInChI=1S/C13H19N3OS2/c1-4-10-6-14-11(17-10)8-18-12-7-16-13(19-12)15-5-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyXEQPEXDYCWMKNA-UHFFFAOYSA-N
XLogP4.05
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine (CID 22971176) is 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine is CCc1cnc(CSc2cnc(NCC(C)C)s2)o1.
What is the InChIKey of 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
The InChIKey is XEQPEXDYCWMKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-4-10-6-14-11(17-10)8-18-12-7-16-13(19-12)15-5-9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine?
5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine has a molecular weight of 297.45 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3-oxazol-2-yl)methylsulfanyl]-N-(2-methylpropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 22971176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).