N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C24H30N2O2S — CID 27894970

IUPACN-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NCC34CC5CC(CC(C5)C3)C4)cs2)cc1
InChIInChI=1S/C24H30N2O2S/c1-16-2-4-21(5-3-16)28-13-23-26-20(14-29-23)9-22(27)25-15-24-10-17-6-18(11-24)8-19(7-17)12-24/h2-5,14,17-19H,6-13,15H2,1H3,(H,25,27)
InChIKeyTZVUYNHVPPRFIF-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.91
Rot. Bonds7

About N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 27894970) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID27894970
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC NameN-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NCC34CC5CC(CC(C5)C3)C4)cs2)cc1
InChIInChI=1S/C24H30N2O2S/c1-16-2-4-21(5-3-16)28-13-23-26-20(14-29-23)9-22(27)25-15-24-10-17-6-18(11-24)8-19(7-17)12-24/h2-5,14,17-19H,6-13,15H2,1H3,(H,25,27)
InChIKeyTZVUYNHVPPRFIF-UHFFFAOYSA-N
XLogP4.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
CID 54752786
N-[(4-fluorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
CID 54752787
N-[(4-methylphenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
CID 56640962
2-(4-ethoxyphenyl)-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}acetamide
CID 7287466
N-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 7287513
2-Methyl-4-[[4-(3-piperidin-4-ylphenyl)phenoxy]methyl]-1,3-thiazole
CID 137635903
2-(4-ethoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119097
N-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methylamino]ethyl]acetamide
CID 8851203
2-(4-methoxyphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119099
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 18145113
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 34069127
N-cyclopropyl-2-{2-[(2,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide
CID 46266175

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 27894970) is N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(OCc2nc(CC(=O)NCC34CC5CC(CC(C5)C3)C4)cs2)cc1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is TZVUYNHVPPRFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-16-2-4-21(5-3-16)28-13-23-26-20(14-29-23)9-22(27)25-15-24-10-17-6-18(11-24)8-19(7-17)12-24/h2-5,14,17-19H,6-13,15H2,1H3,(H,25,27).
What are the key properties of N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 410.58 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27894970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).