N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide

C21H24N2OS — CID 118726195

IUPACN-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H24N2OS/c24-19(21-10-15-6-16(11-21)8-17(7-15)12-21)23-20-22-13-18(25-20)9-14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H,22,23,24)
InChIKeyXLYHRRWHFJBRAU-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.89
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 118726195) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID118726195
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H24N2OS/c24-19(21-10-15-6-16(11-21)8-17(7-15)12-21)23-20-22-13-18(25-20)9-14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H,22,23,24)
InChIKeyXLYHRRWHFJBRAU-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 16550294
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
(1R)-N-(5-benzyl-1,3-thiazol-2-yl)cyclohex-3-ene-1-carboxamide
CID 9171281
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596203
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 24575770
N-(5-benzyl-1,3-thiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270229
(5S,7R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloroadamantane-1-carboxamide
CID 7729200
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
2-bromo-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 17015927
N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
CID 126767380

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 118726195) is N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is XLYHRRWHFJBRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c24-19(21-10-15-6-16(11-21)8-17(7-15)12-21)23-20-22-13-18(25-20)9-14-4-2-1-3-5-14/h1-5,13,15-17H,6-12H2,(H,22,23,24).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 118726195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).