N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide

C16H27N3OS — CID 72873202

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESCCc1nc(C)c(CNC(=O)CCCN2CCCCC2)s1
InChIInChI=1S/C16H27N3OS/c1-3-16-18-13(2)14(21-16)12-17-15(20)8-7-11-19-9-5-4-6-10-19/h3-12H2,1-2H3,(H,17,20)
InChIKeyYSBONPBJBZRLJP-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.90
Rot. Bonds7

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide (PubChem CID 72873202) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide
PubChem CID72873202
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide
SMILESCCc1nc(C)c(CNC(=O)CCCN2CCCCC2)s1
InChIInChI=1S/C16H27N3OS/c1-3-16-18-13(2)14(21-16)12-17-15(20)8-7-11-19-9-5-4-6-10-19/h3-12H2,1-2H3,(H,17,20)
InChIKeyYSBONPBJBZRLJP-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide (CID 72873202) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide is CCc1nc(C)c(CNC(=O)CCCN2CCCCC2)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide?
The InChIKey is YSBONPBJBZRLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-3-16-18-13(2)14(21-16)12-17-15(20)8-7-11-19-9-5-4-6-10-19/h3-12H2,1-2H3,(H,17,20).
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide has a molecular weight of 309.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72873202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).