2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide

C21H33N5O3S2 — CID 126515456

IUPAC2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)N(C)C3CCN(S(C)=O)CC3)on2)s1
InChIInChI=1S/C21H33N5O3S2/c1-14-22-13-17(30-14)20(2,3)16-12-18(29-24-16)23-19(27)21(4,5)25(6)15-8-10-26(11-9-15)31(7)28/h12-13,15H,8-11H2,1-7H3,(H,23,27)
InChIKeyBTLPFMXGIBGPQA-UHFFFAOYSA-N
MW467.66 g/mol
LogP3.17
Rot. Bonds7

About 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide

2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide (PubChem CID 126515456) has the molecular formula C21H33N5O3S2 and a molecular weight of 467.66 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
PubChem CID126515456
Molecular FormulaC21H33N5O3S2
Molecular Weight467.66 g/mol
Exact Mass467.20
IUPAC Name2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
SMILESCc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)N(C)C3CCN(S(C)=O)CC3)on2)s1
InChIInChI=1S/C21H33N5O3S2/c1-14-22-13-17(30-14)20(2,3)16-12-18(29-24-16)23-19(27)21(4,5)25(6)15-8-10-26(11-9-15)31(7)28/h12-13,15H,8-11H2,1-7H3,(H,23,27)
InChIKeyBTLPFMXGIBGPQA-UHFFFAOYSA-N
XLogP3.17
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide (CID 126515456) is 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide is Cc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)N(C)C3CCN(S(C)=O)CC3)on2)s1.
What is the InChIKey of 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
The InChIKey is BTLPFMXGIBGPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3S2/c1-14-22-13-17(30-14)20(2,3)16-12-18(29-24-16)23-19(27)21(4,5)25(6)15-8-10-26(11-9-15)31(7)28/h12-13,15H,8-11H2,1-7H3,(H,23,27).
What are the key properties of 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide?
2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide has a molecular weight of 467.66 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(1-methylsulfinylpiperidin-4-yl)amino]-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 126515456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).