N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide

C26H31N3O2S — CID 142893095

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCc1ccc(-c2csc(N(CCN3CCOCC3)C(=O)Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C26H31N3O2S/c1-3-21-8-10-23(11-9-21)24-19-32-26(27-24)29(13-12-28-14-16-31-17-15-28)25(30)18-22-6-4-20(2)5-7-22/h4-11,19H,3,12-18H2,1-2H3
InChIKeyIQIBNMGVANNXNF-UHFFFAOYSA-N
MW449.62 g/mol
LogP4.59
Rot. Bonds8

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 142893095) has the molecular formula C26H31N3O2S and a molecular weight of 449.62 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID142893095
Molecular FormulaC26H31N3O2S
Molecular Weight449.62 g/mol
Exact Mass449.21
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCCc1ccc(-c2csc(N(CCN3CCOCC3)C(=O)Cc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C26H31N3O2S/c1-3-21-8-10-23(11-9-21)24-19-32-26(27-24)29(13-12-28-14-16-31-17-15-28)25(30)18-22-6-4-20(2)5-7-22/h4-11,19H,3,12-18H2,1-2H3
InChIKeyIQIBNMGVANNXNF-UHFFFAOYSA-N
XLogP4.59
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide;hydrochloride
CID 6603084
2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 7622597
2,6-dimethoxy-N-(3-morpholin-4-ylpropyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1175856
2-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide
CID 90602556
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997744
N-(3-morpholin-4-ylpropyl)-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667869
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 18583330
2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 1172776
2-(4-ethoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715450
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 25319852
2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29070481
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997752

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 142893095) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide is CCc1ccc(-c2csc(N(CCN3CCOCC3)C(=O)Cc3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is IQIBNMGVANNXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2S/c1-3-21-8-10-23(11-9-21)24-19-32-26(27-24)29(13-12-28-14-16-31-17-15-28)25(30)18-22-6-4-20(2)5-7-22/h4-11,19H,3,12-18H2,1-2H3.
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 449.62 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 142893095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).