N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide

C14H23N3OS — CID 142538963

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2CCCCC2)n1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)11-10-19-13(15-11)16-12(18)9-17-7-5-4-6-8-17/h10H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyVATCQXJVJFHXAE-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.87
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide (PubChem CID 142538963) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
PubChem CID142538963
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
SMILESCC(C)(C)c1csc(NC(=O)CN2CCCCC2)n1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)11-10-19-13(15-11)16-12(18)9-17-7-5-4-6-8-17/h10H,4-9H2,1-3H3,(H,15,16,18)
InChIKeyVATCQXJVJFHXAE-UHFFFAOYSA-N
XLogP2.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide (CID 142538963) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide is CC(C)(C)c1csc(NC(=O)CN2CCCCC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide?
The InChIKey is VATCQXJVJFHXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(2,3)11-10-19-13(15-11)16-12(18)9-17-7-5-4-6-8-17/h10H,4-9H2,1-3H3,(H,15,16,18).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide has a molecular weight of 281.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 142538963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).