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

C25H29N3O2S — CID 55574676

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(c3ccccc3)N3CCOCC3)cs2)cc1
InChIInChI=1S/C25H29N3O2S/c1-2-19-8-10-21(11-9-19)25-27-22(18-31-25)16-24(29)26-17-23(20-6-4-3-5-7-20)28-12-14-30-15-13-28/h3-11,18,23H,2,12-17H2,1H3,(H,26,29)
InChIKeyVPIGCPWWCMPWLU-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.10
Rot. Bonds8

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

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide (PubChem CID 55574676) has the molecular formula C25H29N3O2S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
PubChem CID55574676
Molecular FormulaC25H29N3O2S
Molecular Weight435.59 g/mol
Exact Mass435.20
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NCC(c3ccccc3)N3CCOCC3)cs2)cc1
InChIInChI=1S/C25H29N3O2S/c1-2-19-8-10-21(11-9-19)25-27-22(18-31-25)16-24(29)26-17-23(20-6-4-3-5-7-20)28-12-14-30-15-13-28/h3-11,18,23H,2,12-17H2,1H3,(H,26,29)
InChIKeyVPIGCPWWCMPWLU-UHFFFAOYSA-N
XLogP4.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 112809788
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55435927
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112809737
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 112809765
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46514403
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55659912
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 43006465
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110623840
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40798872
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 112506556
N-[4-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 134011094
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(2R)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 39223987

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide (CID 55574676) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide is CCc1ccc(-c2nc(CC(=O)NCC(c3ccccc3)N3CCOCC3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide?
The InChIKey is VPIGCPWWCMPWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2S/c1-2-19-8-10-21(11-9-19)25-27-22(18-31-25)16-24(29)26-17-23(20-6-4-3-5-7-20)28-12-14-30-15-13-28/h3-11,18,23H,2,12-17H2,1H3,(H,26,29).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide has a molecular weight of 435.59 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide is sourced from PubChem (CID 55574676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).