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

C24H26N2O2S — CID 46666191

IUPAC2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NCC3CCCc4ccccc43)cs2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17-9-11-21(12-10-17)28-15-24-26-20(16-29-24)13-23(27)25-14-19-7-4-6-18-5-2-3-8-22(18)19/h2-3,5,8-12,16,19H,4,6-7,13-15H2,1H3,(H,25,27)
InChIKeyMJWQTCHGXBRTEB-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.81
Rot. Bonds7

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

2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide (PubChem CID 46666191) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
PubChem CID46666191
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
SMILESCc1ccc(OCc2nc(CC(=O)NCC3CCCc4ccccc43)cs2)cc1
InChIInChI=1S/C24H26N2O2S/c1-17-9-11-21(12-10-17)28-15-24-26-20(16-29-24)13-23(27)25-14-19-7-4-6-18-5-2-3-8-22(18)19/h2-3,5,8-12,16,19H,4,6-7,13-15H2,1H3,(H,25,27)
InChIKeyMJWQTCHGXBRTEB-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 16572678
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46649402
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 26010132
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31645035
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 34804771
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-4-ylacetamide
CID 119388318
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 110313956
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
CID 119507257
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 55478764
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 166220081

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide (CID 46666191) is 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide is Cc1ccc(OCc2nc(CC(=O)NCC3CCCc4ccccc43)cs2)cc1.
What is the InChIKey of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
The InChIKey is MJWQTCHGXBRTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-17-9-11-21(12-10-17)28-15-24-26-20(16-29-24)13-23(27)25-14-19-7-4-6-18-5-2-3-8-22(18)19/h2-3,5,8-12,16,19H,4,6-7,13-15H2,1H3,(H,25,27).
What are the key properties of 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide?
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide has a molecular weight of 406.55 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide is sourced from PubChem (CID 46666191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).