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

C22H21ClN2O2S — CID 46649402

IUPAC2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC1CCCc2ccccc21
InChIInChI=1S/C22H21ClN2O2S/c23-16-8-10-18(11-9-16)27-13-22-24-17(14-28-22)12-21(26)25-20-7-3-5-15-4-1-2-6-19(15)20/h1-2,4,6,8-11,14,20H,3,5,7,12-13H2,(H,25,26)
InChIKeyIZNILVIWGNJCRD-UHFFFAOYSA-N
MW412.94 g/mol
LogP5.11
Rot. Bonds6

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

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 46649402) has the molecular formula C22H21ClN2O2S and a molecular weight of 412.94 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID46649402
Molecular FormulaC22H21ClN2O2S
Molecular Weight412.94 g/mol
Exact Mass412.10
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC1CCCc2ccccc21
InChIInChI=1S/C22H21ClN2O2S/c23-16-8-10-18(11-9-16)27-13-22-24-17(14-28-22)12-21(26)25-20-7-3-5-15-4-1-2-6-19(15)20/h1-2,4,6,8-11,14,20H,3,5,7,12-13H2,(H,25,26)
InChIKeyIZNILVIWGNJCRD-UHFFFAOYSA-N
XLogP5.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.94
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 34804771
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 16572678
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46666191
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119428889
N-[4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 46549313
N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 35076867
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(3-cyclohexyloxypropyl)acetamide
CID 55463191
N-(2-amino-1-cyclopropylethyl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119617460
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 27286822
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 55478764
2-(4-phenylmethoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919823
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9260255

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 46649402) is 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC1CCCc2ccccc21.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is IZNILVIWGNJCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2S/c23-16-8-10-18(11-9-16)27-13-22-24-17(14-28-22)12-21(26)25-20-7-3-5-15-4-1-2-6-19(15)20/h1-2,4,6,8-11,14,20H,3,5,7,12-13H2,(H,25,26).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 412.94 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 46649402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).