N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide

C19H17ClN2O2S — CID 2130450

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C19H17ClN2O2S/c1-13-5-2-3-8-17(13)24-12-18(23)22-19-21-11-16(25-19)10-14-6-4-7-15(20)9-14/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKeyLHAIPNVWTLZRFI-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.71
Rot. Bonds6

About N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 2130450) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
PubChem CID2130450
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C19H17ClN2O2S/c1-13-5-2-3-8-17(13)24-12-18(23)22-19-21-11-16(25-19)10-14-6-4-7-15(20)9-14/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKeyLHAIPNVWTLZRFI-UHFFFAOYSA-N
XLogP4.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 720854
2-(2-chlorophenoxy)-N-(5-methylthiazol-2-yl)acetamide
CID 2673126
2,3-Dihydro-benzo[1,4]dioxine-2-carboxylic acid (5-benzyl-thiazol-2-yl)-amide
CID 3158817
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1143610
2-(4-bromophenoxy)-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]acetamide
CID 1181170
4-(4-chloro-3-methyl-phenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 2673049
N-[5-(2,5-dichlorobenzyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 3124798
2-Phenoxy-N-(5-(3-(trifluoromethyl)benzyl)-1,3-thiazol-2-YL)acetamide
CID 1183095
N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-2-(4-chlorophenoxy)acetamide
CID 2130446
2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2463651
4-(3-chloro-5-methyl-phenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 155513932
1-[2-(4-Chloro-3-methyl-phenoxy)ethyl]-3-(5-methylthiazol-2-yl)urea
CID 155525929

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide (CID 2130450) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is LHAIPNVWTLZRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-13-5-2-3-8-17(13)24-12-18(23)22-19-21-11-16(25-19)10-14-6-4-7-15(20)9-14/h2-9,11H,10,12H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 372.88 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 2130450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).