N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

C20H29N3OS — CID 42598019

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C20H29N3OS/c24-18(12-23-4-2-1-3-5-23)22-19-21-17(13-25-19)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-16H,1-12H2,(H,21,22,24)
InChIKeyUVYYFQGRPBHSAA-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.04
Rot. Bonds4

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 42598019) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
PubChem CID42598019
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C20H29N3OS/c24-18(12-23-4-2-1-3-5-23)22-19-21-17(13-25-19)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-16H,1-12H2,(H,21,22,24)
InChIKeyUVYYFQGRPBHSAA-UHFFFAOYSA-N
XLogP4.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (CID 42598019) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is UVYYFQGRPBHSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c24-18(12-23-4-2-1-3-5-23)22-19-21-17(13-25-19)20-9-14-6-15(10-20)8-16(7-14)11-20/h13-16H,1-12H2,(H,21,22,24).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 359.54 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 42598019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).