2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide

C21H30N2O2S — CID 55486396

IUPAC2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NC(C)CCCC(C)C)cs1
InChIInChI=1S/C21H30N2O2S/c1-5-25-19-12-7-6-11-18(19)21-23-17(14-26-21)13-20(24)22-16(4)10-8-9-15(2)3/h6-7,11-12,14-16H,5,8-10,13H2,1-4H3,(H,22,24)
InChIKeyZCAVQYYGJNJZCC-UHFFFAOYSA-N
MW374.55 g/mol
LogP5.08
Rot. Bonds10

About 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide (PubChem CID 55486396) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide
PubChem CID55486396
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC Name2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCCOc1ccccc1-c1nc(CC(=O)NC(C)CCCC(C)C)cs1
InChIInChI=1S/C21H30N2O2S/c1-5-25-19-12-7-6-11-18(19)21-23-17(14-26-21)13-20(24)22-16(4)10-8-9-15(2)3/h6-7,11-12,14-16H,5,8-10,13H2,1-4H3,(H,22,24)
InChIKeyZCAVQYYGJNJZCC-UHFFFAOYSA-N
XLogP5.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 16596855
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46418276
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 16599382
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-[3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 55665872
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536784
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 16591401
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16590476
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 18137419
N-(2-acetylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16592622
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16599535
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16591047

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide (CID 55486396) is 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide is CCOc1ccccc1-c1nc(CC(=O)NC(C)CCCC(C)C)cs1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is ZCAVQYYGJNJZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S/c1-5-25-19-12-7-6-11-18(19)21-23-17(14-26-21)13-20(24)22-16(4)10-8-9-15(2)3/h6-7,11-12,14-16H,5,8-10,13H2,1-4H3,(H,22,24).
What are the key properties of 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide?
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 374.55 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 55486396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).