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

C22H25FN2O2S — CID 24618414

IUPACN-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccc(F)cc2)n1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H25FN2O2S/c23-17-1-3-19(4-2-17)27-11-21-24-18(12-28-21)10-20(26)25-22-15-6-13-5-14(8-15)9-16(22)7-13/h1-4,12-16,22H,5-11H2,(H,25,26)
InChIKeyCLOWULOWRAQUEW-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.34
Rot. Bonds6

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

N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 24618414) has the molecular formula C22H25FN2O2S and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID24618414
Molecular FormulaC22H25FN2O2S
Molecular Weight400.52 g/mol
Exact Mass400.16
IUPAC NameN-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(COc2ccc(F)cc2)n1)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C22H25FN2O2S/c23-17-1-3-19(4-2-17)27-11-21-24-18(12-28-21)10-20(26)25-22-15-6-13-5-14(8-15)9-16(22)7-13/h1-4,12-16,22H,5-11H2,(H,25,26)
InChIKeyCLOWULOWRAQUEW-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 24618414) is N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(COc2ccc(F)cc2)n1)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is CLOWULOWRAQUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2S/c23-17-1-3-19(4-2-17)27-11-21-24-18(12-28-21)10-20(26)25-22-15-6-13-5-14(8-15)9-16(22)7-13/h1-4,12-16,22H,5-11H2,(H,25,26).
What are the key properties of N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24618414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).