N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride

C22H27ClN2OS — CID 2894436

IUPACN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)cc1.Cl
InChIInChI=1S/C22H26N2OS.ClH/c1-13-3-5-18(6-4-13)19-14(2)26-21(23-19)24-20(25)22-10-15-7-16(11-22)9-17(8-15)12-22;/h3-6,15-17H,7-12H2,1-2H3,(H,23,24,25);1H
InChIKeyOZHUIGNSKUCVBO-UHFFFAOYSA-N
MW402.99 g/mol
LogP6.00
Rot. Bonds3

About N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride

N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride (PubChem CID 2894436) has the molecular formula C22H27ClN2OS and a molecular weight of 402.99 g/mol. Its IUPAC name is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride
PubChem CID2894436
Molecular FormulaC22H27ClN2OS
Molecular Weight402.99 g/mol
Exact Mass402.15
IUPAC NameN-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)cc1.Cl
InChIInChI=1S/C22H26N2OS.ClH/c1-13-3-5-18(6-4-13)19-14(2)26-21(23-19)24-20(25)22-10-15-7-16(11-22)9-17(8-15)12-22;/h3-6,15-17H,7-12H2,1-2H3,(H,23,24,25);1H
InChIKeyOZHUIGNSKUCVBO-UHFFFAOYSA-N
XLogP6.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.99
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride 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-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride (CID 2894436) is N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride is Cc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)cc1.Cl.
What is the InChIKey of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride?
The InChIKey is OZHUIGNSKUCVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS.ClH/c1-13-3-5-18(6-4-13)19-14(2)26-21(23-19)24-20(25)22-10-15-7-16(11-22)9-17(8-15)12-22;/h3-6,15-17H,7-12H2,1-2H3,(H,23,24,25);1H.
What are the key properties of N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride?
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride has a molecular weight of 402.99 g/mol, XLogP of 6.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 2894436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).