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

C18H29N3O2S — CID 71842095

IUPACN-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCCN(C(=O)CC(C)(C)C)C2)n1
InChIInChI=1S/C18H29N3O2S/c1-5-15(22)19-10-14-12-24-17(20-14)13-7-6-8-21(11-13)16(23)9-18(2,3)4/h12-13H,5-11H2,1-4H3,(H,19,22)
InChIKeyARFWOJGCJPEDFC-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.31
Rot. Bonds5

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

N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 71842095) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID71842095
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCCN(C(=O)CC(C)(C)C)C2)n1
InChIInChI=1S/C18H29N3O2S/c1-5-15(22)19-10-14-12-24-17(20-14)13-7-6-8-21(11-13)16(23)9-18(2,3)4/h12-13H,5-11H2,1-4H3,(H,19,22)
InChIKeyARFWOJGCJPEDFC-UHFFFAOYSA-N
XLogP3.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 71842095) is N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)NCc1csc(C2CCCN(C(=O)CC(C)(C)C)C2)n1.
What is the InChIKey of N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is ARFWOJGCJPEDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-5-15(22)19-10-14-12-24-17(20-14)13-7-6-8-21(11-13)16(23)9-18(2,3)4/h12-13H,5-11H2,1-4H3,(H,19,22).
What are the key properties of N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 351.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(3,3-dimethylbutanoyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 71842095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).