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

C23H27FN2O2S — CID 17494218

IUPACN-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccc(F)cc2)n1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H27FN2O2S/c24-18-1-3-20(4-2-18)28-12-22-26-19(13-29-22)8-21(27)25-14-23-9-15-5-16(10-23)7-17(6-15)11-23/h1-4,13,15-17H,5-12,14H2,(H,25,27)
InChIKeyRTUJBSUGCRXSPH-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.74
Rot. Bonds7

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

N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 17494218) has the molecular formula C23H27FN2O2S and a molecular weight of 414.55 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID17494218
Molecular FormulaC23H27FN2O2S
Molecular Weight414.55 g/mol
Exact Mass414.18
IUPAC NameN-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccc(F)cc2)n1)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H27FN2O2S/c24-18-1-3-20(4-2-18)28-12-22-26-19(13-29-22)8-21(27)25-14-23-9-15-5-16(10-23)7-17(6-15)11-23/h1-4,13,15-17H,5-12,14H2,(H,25,27)
InChIKeyRTUJBSUGCRXSPH-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[[(1R,5R)-1-bicyclo[3.1.0]hexanyl]methyl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]acetamide
CID 154770700
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-methyl-1-phenylpropyl)acetamide
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2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 27286822
2-[(4-fluorophenoxy)methyl]-N-methoxy-1,3-thiazole-4-carboxamide
CID 33104782
2-(2-ethyl-1,3-thiazol-4-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111110968
2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
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2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-4-ylacetamide
CID 119388318
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 18276480
N-[3-(methylamino)propyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119432048
N-[2-(ethylamino)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 17494218) is N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(COc2ccc(F)cc2)n1)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is RTUJBSUGCRXSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2S/c24-18-1-3-20(4-2-18)28-12-22-26-19(13-29-22)8-21(27)25-14-23-9-15-5-16(10-23)7-17(6-15)11-23/h1-4,13,15-17H,5-12,14H2,(H,25,27).
What are the key properties of N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-(1-adamantylmethyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 4.74, 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-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 17494218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).