N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide

C18H27N3O2S — CID 53149362

IUPACN-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCN(C(=O)C3CCC3)CC2)n1
InChIInChI=1S/C18H27N3O2S/c1-12(2)16(22)19-10-15-11-24-17(20-15)13-6-8-21(9-7-13)18(23)14-4-3-5-14/h11-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyMYOLFRVUKYHNSN-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.92
Rot. Bonds5

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

N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (PubChem CID 53149362) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
PubChem CID53149362
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1csc(C2CCN(C(=O)C3CCC3)CC2)n1
InChIInChI=1S/C18H27N3O2S/c1-12(2)16(22)19-10-15-11-24-17(20-15)13-6-8-21(9-7-13)18(23)14-4-3-5-14/h11-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyMYOLFRVUKYHNSN-UHFFFAOYSA-N
XLogP2.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide (CID 53149362) is N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1csc(C2CCN(C(=O)C3CCC3)CC2)n1.
What is the InChIKey of N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
The InChIKey is MYOLFRVUKYHNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12(2)16(22)19-10-15-11-24-17(20-15)13-6-8-21(9-7-13)18(23)14-4-3-5-14/h11-14H,3-10H2,1-2H3,(H,19,22).
What are the key properties of N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide?
N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide has a molecular weight of 349.50 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 53149362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).