N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide

C18H29N3O2S — CID 53149603

IUPACN-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
SMILESCCCC(=O)N1CCCC(c2nc(CCNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C18H29N3O2S/c1-4-6-16(22)21-10-5-7-14(11-21)18-20-15(12-24-18)8-9-19-17(23)13(2)3/h12-14H,4-11H2,1-3H3,(H,19,23)
InChIKeyDYOCFNUTTQNFOQ-UHFFFAOYSA-N
MW351.52 g/mol
LogP2.96
Rot. Bonds7

About N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide

N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide (PubChem CID 53149603) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
PubChem CID53149603
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide
SMILESCCCC(=O)N1CCCC(c2nc(CCNC(=O)C(C)C)cs2)C1
InChIInChI=1S/C18H29N3O2S/c1-4-6-16(22)21-10-5-7-14(11-21)18-20-15(12-24-18)8-9-19-17(23)13(2)3/h12-14H,4-11H2,1-3H3,(H,19,23)
InChIKeyDYOCFNUTTQNFOQ-UHFFFAOYSA-N
XLogP2.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide (CID 53149603) is N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide is CCCC(=O)N1CCCC(c2nc(CCNC(=O)C(C)C)cs2)C1.
What is the InChIKey of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
The InChIKey is DYOCFNUTTQNFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-4-6-16(22)21-10-5-7-14(11-21)18-20-15(12-24-18)8-9-19-17(23)13(2)3/h12-14H,4-11H2,1-3H3,(H,19,23).
What are the key properties of N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide?
N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide has a molecular weight of 351.52 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-butanoylpiperidin-3-yl)-1,3-thiazol-4-yl]ethyl]-2-methylpropanamide is sourced from PubChem (CID 53149603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).