2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide

C21H21ClN2O2S — CID 4643294

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C21H21ClN2O2S/c1-13(2)15-4-6-16(7-5-15)18-12-27-21(23-18)24-20(25)11-26-19-9-8-17(22)10-14(19)3/h4-10,12-13H,11H2,1-3H3,(H,23,24,25)
InChIKeyYLFIXNVUUFBQIQ-UHFFFAOYSA-N
MW400.93 g/mol
LogP5.91
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4643294) has the molecular formula C21H21ClN2O2S and a molecular weight of 400.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID4643294
Molecular FormulaC21H21ClN2O2S
Molecular Weight400.93 g/mol
Exact Mass400.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C21H21ClN2O2S/c1-13(2)15-4-6-16(7-5-15)18-12-27-21(23-18)24-20(25)11-26-19-9-8-17(22)10-14(19)3/h4-10,12-13H,11H2,1-3H3,(H,23,24,25)
InChIKeyYLFIXNVUUFBQIQ-UHFFFAOYSA-N
XLogP5.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.93
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196879
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173202
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 4784997
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406701
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
2-(4-chloro-2-methylphenoxy)-N-[4-(3-ethyl-4-heptoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 110171562
2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3483878
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7921909
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-(4-chloro-2-methylphenoxy)butanamide
CID 3567605
methyl 2-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 38986380
2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178578
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide (CID 4643294) is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YLFIXNVUUFBQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2S/c1-13(2)15-4-6-16(7-5-15)18-12-27-21(23-18)24-20(25)11-26-19-9-8-17(22)10-14(19)3/h4-10,12-13H,11H2,1-3H3,(H,23,24,25).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 400.93 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4643294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).