N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C22H23ClN2O2S — CID 19196465

IUPACN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1
InChIInChI=1S/C22H23ClN2O2S/c1-13(2)18-10-5-14(3)11-19(18)27-12-20(26)24-22-25-21(15(4)28-22)16-6-8-17(23)9-7-16/h5-11,13H,12H2,1-4H3,(H,24,25,26)
InChIKeyNVSIXSNCIHEMGN-UHFFFAOYSA-N
MW414.96 g/mol
LogP6.22
Rot. Bonds6

About N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 19196465) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID19196465
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC NameN-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1
InChIInChI=1S/C22H23ClN2O2S/c1-13(2)18-10-5-14(3)11-19(18)27-12-20(26)24-22-25-21(15(4)28-22)16-6-8-17(23)9-7-16/h5-11,13H,12H2,1-4H3,(H,24,25,26)
InChIKeyNVSIXSNCIHEMGN-UHFFFAOYSA-N
XLogP6.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19178430
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888
2-(4-bromo-5-methyl-2-propan-2-ylphenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19228768
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 19228036
2-(4-bromo-2-ethylphenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19203132
N-[4-[5-(4-methylphenyl)thiophen-2-yl]-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 35271857
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 1191419
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19218344
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
N-[(6-chloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 4507693

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 19196465) is N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is NVSIXSNCIHEMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-13(2)18-10-5-14(3)11-19(18)27-12-20(26)24-22-25-21(15(4)28-22)16-6-8-17(23)9-7-16/h5-11,13H,12H2,1-4H3,(H,24,25,26).
What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 414.96 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19196465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).