2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide

C21H23N3O2S — CID 28857661

IUPAC2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccccc2-c2csc(N)n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-21(2,3)14-8-10-15(11-9-14)23-19(25)12-26-18-7-5-4-6-16(18)17-13-27-20(22)24-17/h4-11,13H,12H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyBNHQTFLOVHOSJT-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.71
Rot. Bonds5

About 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide

2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide (PubChem CID 28857661) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide
PubChem CID28857661
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide
SMILESCC(C)(C)c1ccc(NC(=O)COc2ccccc2-c2csc(N)n2)cc1
InChIInChI=1S/C21H23N3O2S/c1-21(2,3)14-8-10-15(11-9-14)23-19(25)12-26-18-7-5-4-6-16(18)17-13-27-20(22)24-17/h4-11,13H,12H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyBNHQTFLOVHOSJT-UHFFFAOYSA-N
XLogP4.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28857578
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-benzylacetamide
CID 28857665
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-chloro-2-methylphenyl)acetamide
CID 28857548
N-(4-tert-butylphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7914312
ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate;hydrobromide
CID 56832420
2-(2-tert-butylphenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19217769
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
4-tert-butyl-N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17235093
2-[4-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-phenylacetamide
CID 28856207
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]ethanol
CID 28857958
4-tert-butyl-N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]benzamide
CID 1221634
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide (CID 28857661) is 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide is CC(C)(C)c1ccc(NC(=O)COc2ccccc2-c2csc(N)n2)cc1.
What is the InChIKey of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide?
The InChIKey is BNHQTFLOVHOSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-21(2,3)14-8-10-15(11-9-14)23-19(25)12-26-18-7-5-4-6-16(18)17-13-27-20(22)24-17/h4-11,13H,12H2,1-3H3,(H2,22,24)(H,23,25).
What are the key properties of 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide?
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide has a molecular weight of 381.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-N-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 28857661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).