2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide

C18H29N3O2S — CID 53149422

IUPAC2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCC(C)CC(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C18H29N3O2S/c1-12(2)8-16(22)21-7-5-6-14(10-21)18-20-15(11-24-18)9-19-17(23)13(3)4/h11-14H,5-10H2,1-4H3,(H,19,23)
InChIKeyCMYLJGJBKFAFMH-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.17
Rot. Bonds6

About 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide

2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 53149422) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID53149422
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCC(C)CC(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C18H29N3O2S/c1-12(2)8-16(22)21-7-5-6-14(10-21)18-20-15(11-24-18)9-19-17(23)13(3)4/h11-14H,5-10H2,1-4H3,(H,19,23)
InChIKeyCMYLJGJBKFAFMH-UHFFFAOYSA-N
XLogP3.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 53149422) is 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is CC(C)CC(=O)N1CCCC(c2nc(CNC(=O)C(C)C)cs2)C1.
What is the InChIKey of 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is CMYLJGJBKFAFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-12(2)8-16(22)21-7-5-6-14(10-21)18-20-15(11-24-18)9-19-17(23)13(3)4/h11-14H,5-10H2,1-4H3,(H,19,23).
What are the key properties of 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 351.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[1-(3-methylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 53149422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).