2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C17H22N2O2S — CID 19178619

IUPAC2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)COc2ccc(C(C)(C)C)cc2)sc1C
InChIInChI=1S/C17H22N2O2S/c1-11-12(2)22-16(18-11)19-15(20)10-21-14-8-6-13(7-9-14)17(3,4)5/h6-9H,10H2,1-5H3,(H,18,19,20)
InChIKeyNVSWYTSEODDKJE-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.07
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 19178619) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID19178619
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)COc2ccc(C(C)(C)C)cc2)sc1C
InChIInChI=1S/C17H22N2O2S/c1-11-12(2)22-16(18-11)19-15(20)10-21-14-8-6-13(7-9-14)17(3,4)5/h6-9H,10H2,1-5H3,(H,18,19,20)
InChIKeyNVSWYTSEODDKJE-UHFFFAOYSA-N
XLogP4.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19217804
2-(4-tert-butylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17011876
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4-ethoxyphenoxy)acetamide
CID 19177786
2-(2-bromophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178789
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8797725
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 31527622
2-(4-bromo-2,6-dimethylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 19178868
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(4-ethylphenoxy)butanamide
CID 19184081

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 19178619) is 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)COc2ccc(C(C)(C)C)cc2)sc1C.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NVSWYTSEODDKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11-12(2)22-16(18-11)19-15(20)10-21-14-8-6-13(7-9-14)17(3,4)5/h6-9H,10H2,1-5H3,(H,18,19,20).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 19178619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).