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

C21H21ClN2O2S — CID 19196694

IUPAC2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C21H21ClN2O2S/c1-21(2,3)15-9-5-7-11-18(15)26-12-19(25)24-20-23-17(13-27-20)14-8-4-6-10-16(14)22/h4-11,13H,12H2,1-3H3,(H,23,24,25)
InChIKeyLHOVTBFHSMRJLO-UHFFFAOYSA-N
MW400.93 g/mol
LogP5.78
Rot. Bonds5

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

2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19196694) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19196694
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C21H21ClN2O2S/c1-21(2,3)15-9-5-7-11-18(15)26-12-19(25)24-20-23-17(13-27-20)14-8-4-6-10-16(14)22/h4-11,13H,12H2,1-3H3,(H,23,24,25)
InChIKeyLHOVTBFHSMRJLO-UHFFFAOYSA-N
XLogP5.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196678
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
2-(2-chlorophenoxy)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 7917567
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217734
methyl 2-[2-[[2-(2-tert-butylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38985945
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16547898
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196780
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26066103
2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 19196694) is 2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide is CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LHOVTBFHSMRJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-21(2,3)15-9-5-7-11-18(15)26-12-19(25)24-20-23-17(13-27-20)14-8-4-6-10-16(14)22/h4-11,13H,12H2,1-3H3,(H,23,24,25).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 400.93 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19196694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).