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

C21H24N2O2S — CID 4083896

IUPACN-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1nc(COc2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H24N2O2S/c24-19(21-9-14-6-15(10-21)8-16(7-14)11-21)23-20-22-17(13-26-20)12-25-18-4-2-1-3-5-18/h1-5,13-16H,6-12H2,(H,22,23,24)
InChIKeyQRAASQPZCBBCKR-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.88
Rot. Bonds5

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

N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (PubChem CID 4083896) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
PubChem CID4083896
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1nc(COc2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H24N2O2S/c24-19(21-9-14-6-15(10-21)8-16(7-14)11-21)23-20-22-17(13-26-20)12-25-18-4-2-1-3-5-18/h1-5,13-16H,6-12H2,(H,22,23,24)
InChIKeyQRAASQPZCBBCKR-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(phenoxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (CID 4083896) is N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is O=C(Nc1nc(COc2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The InChIKey is QRAASQPZCBBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c24-19(21-9-14-6-15(10-21)8-16(7-14)11-21)23-20-22-17(13-26-20)12-25-18-4-2-1-3-5-18/h1-5,13-16H,6-12H2,(H,22,23,24).
What are the key properties of N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 4083896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).