N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C15H21N3O2S2 — CID 144854283

IUPACN-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(SCc2cnc(C(C)(C)C)o2)s1
InChIInChI=1S/C15H21N3O2S2/c1-9(2)12(19)18-14-17-7-11(22-14)21-8-10-6-16-13(20-10)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
InChIKeyREDOKULRVVXDKO-UHFFFAOYSA-N
MW339.49 g/mol
LogP4.32
Rot. Bonds5

About N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 144854283) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID144854283
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(SCc2cnc(C(C)(C)C)o2)s1
InChIInChI=1S/C15H21N3O2S2/c1-9(2)12(19)18-14-17-7-11(22-14)21-8-10-6-16-13(20-10)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
InChIKeyREDOKULRVVXDKO-UHFFFAOYSA-N
XLogP4.32
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 144854283) is N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ncc(SCc2cnc(C(C)(C)C)o2)s1.
What is the InChIKey of N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is REDOKULRVVXDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-9(2)12(19)18-14-17-7-11(22-14)21-8-10-6-16-13(20-10)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19).
What are the key properties of N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 339.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-tert-butyl-1,3-oxazol-5-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 144854283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).