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

C22H23ClN2O2S — CID 19196678

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C(C)(C)C)c1
InChIInChI=1S/C22H23ClN2O2S/c1-14-9-10-19(16(11-14)22(2,3)4)27-12-20(26)25-21-24-18(13-28-21)15-7-5-6-8-17(15)23/h5-11,13H,12H2,1-4H3,(H,24,25,26)
InChIKeyYSKFNVOYHHMIIQ-UHFFFAOYSA-N
MW414.96 g/mol
LogP6.09
Rot. Bonds5

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

2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19196678) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19196678
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C(C)(C)C)c1
InChIInChI=1S/C22H23ClN2O2S/c1-14-9-10-19(16(11-14)22(2,3)4)27-12-20(26)25-21-24-18(13-28-21)15-7-5-6-8-17(15)23/h5-11,13H,12H2,1-4H3,(H,24,25,26)
InChIKeyYSKFNVOYHHMIIQ-UHFFFAOYSA-N
XLogP6.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217734
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16547898
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196780
2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178659
2-(2-chlorophenoxy)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 7917567
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
2-(2,4-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 24982533

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 19196678) is 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YSKFNVOYHHMIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-14-9-10-19(16(11-14)22(2,3)4)27-12-20(26)25-21-24-18(13-28-21)15-7-5-6-8-17(15)23/h5-11,13H,12H2,1-4H3,(H,24,25,26).
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 414.96 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19196678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).