N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

C20H29N3OS — CID 30182797

IUPACN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N3OS/c24-18(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19-21-17(13-25-19)12-23-4-2-1-3-5-23/h13-16H,1-12H2,(H,21,22,24)
InChIKeyKZVADKGDXCTDSM-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.28
Rot. Bonds4

About N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (PubChem CID 30182797) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
PubChem CID30182797
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC NameN-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H29N3OS/c24-18(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19-21-17(13-25-19)12-23-4-2-1-3-5-23/h13-16H,1-12H2,(H,21,22,24)
InChIKeyKZVADKGDXCTDSM-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 46680102
N-[4-(chloromethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 108745940
1-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 120606542
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 119830478
3-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830465
(2R)-2-amino-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830474
2-cyclopent-2-en-1-yl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 46699176
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119830492
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxopiperidine-3-carboxamide
CID 51083310
4-(methoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120639846
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
1-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119830558

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (CID 30182797) is N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The InChIKey is KZVADKGDXCTDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c24-18(20-9-14-6-15(10-20)8-16(7-14)11-20)22-19-21-17(13-25-19)12-23-4-2-1-3-5-23/h13-16H,1-12H2,(H,21,22,24).
What are the key properties of N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide has a molecular weight of 359.54 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 30182797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).