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

C16H23N3O2S2 — CID 5329668

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C16H23N3O2S2/c1-15(2,3)10-7-17-11(21-10)9-22-12-8-18-14(23-12)19-13(20)16(4,5)6/h7-8H,9H2,1-6H3,(H,18,19,20)
InChIKeyWKTFFSVUCQARKP-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.71
Rot. Bonds4

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

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 5329668) has the molecular formula C16H23N3O2S2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID5329668
Molecular FormulaC16H23N3O2S2
Molecular Weight353.51 g/mol
Exact Mass353.12
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C16H23N3O2S2/c1-15(2,3)10-7-17-11(21-10)9-22-12-8-18-14(23-12)19-13(20)16(4,5)6/h7-8H,9H2,1-6H3,(H,18,19,20)
InChIKeyWKTFFSVUCQARKP-UHFFFAOYSA-N
XLogP4.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 5329668) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is WKTFFSVUCQARKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S2/c1-15(2,3)10-7-17-11(21-10)9-22-12-8-18-14(23-12)19-13(20)16(4,5)6/h7-8H,9H2,1-6H3,(H,18,19,20).
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 353.51 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 5329668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).