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

C15H21N3O3S2 — CID 5329675

IUPACN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(S(=O)Cc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C15H21N3O3S2/c1-9(2)13(19)18-14-17-7-12(22-14)23(20)8-11-16-6-10(21-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
InChIKeyGTTXLAIKLNNNQH-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.33
Rot. Bonds5

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

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 5329675) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID5329675
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(S(=O)Cc2ncc(C(C)(C)C)o2)s1
InChIInChI=1S/C15H21N3O3S2/c1-9(2)13(19)18-14-17-7-12(22-14)23(20)8-11-16-6-10(21-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19)
InChIKeyGTTXLAIKLNNNQH-UHFFFAOYSA-N
XLogP3.33
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.33
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)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 5329675) is N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ncc(S(=O)Cc2ncc(C(C)(C)C)o2)s1.
What is the InChIKey of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is GTTXLAIKLNNNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-9(2)13(19)18-14-17-7-12(22-14)23(20)8-11-16-6-10(21-11)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18,19).
What are the key properties of N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 355.49 g/mol, XLogP of 3.33, 5 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)methylsulfinyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 5329675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).