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

C21H21ClN2O2S — CID 31641686

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-15-7-9-17(10-8-15)26-12-11-24(2)20(25)13-16-14-27-21(23-16)18-5-3-4-6-19(18)22/h3-10,14H,11-13H2,1-2H3
InChIKeyYDTYQWWSVILFBT-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.85
Rot. Bonds7

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (PubChem CID 31641686) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
PubChem CID31641686
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
SMILESCc1ccc(OCCN(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C21H21ClN2O2S/c1-15-7-9-17(10-8-15)26-12-11-24(2)20(25)13-16-14-27-21(23-16)18-5-3-4-6-19(18)22/h3-10,14H,11-13H2,1-2H3
InChIKeyYDTYQWWSVILFBT-UHFFFAOYSA-N
XLogP4.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 31285188
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134049917
N-[2-(4-chlorophenoxy)ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 55332279
2-methyl-N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 55772290
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 62799435
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 51206974
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenoxyethyl)acetamide
CID 30859184
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 86907201
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide
CID 52827861
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 46636397
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39966421

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide (CID 31641686) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is Cc1ccc(OCCN(C)C(=O)Cc2csc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
The InChIKey is YDTYQWWSVILFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-15-7-9-17(10-8-15)26-12-11-24(2)20(25)13-16-14-27-21(23-16)18-5-3-4-6-19(18)22/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide has a molecular weight of 400.93 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide is sourced from PubChem (CID 31641686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).