N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C26H33N3O3S — CID 46414125

IUPACN-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)C(CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)Cc1ccccc1
InChIInChI=1S/C26H33N3O3S/c1-5-29(6-2)22(14-19-10-8-7-9-11-19)17-27-25(30)16-21-18-33-26(28-21)20-12-13-23(31-3)24(15-20)32-4/h7-13,15,18,22H,5-6,14,16-17H2,1-4H3,(H,27,30)
InChIKeyRBIGAQWHWUIDCI-UHFFFAOYSA-N
MW467.64 g/mol
LogP4.44
Rot. Bonds12

About N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46414125) has the molecular formula C26H33N3O3S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID46414125
Molecular FormulaC26H33N3O3S
Molecular Weight467.64 g/mol
Exact Mass467.22
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCN(CC)C(CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)Cc1ccccc1
InChIInChI=1S/C26H33N3O3S/c1-5-29(6-2)22(14-19-10-8-7-9-11-19)17-27-25(30)16-21-18-33-26(28-21)20-12-13-23(31-3)24(15-20)32-4/h7-13,15,18,22H,5-6,14,16-17H2,1-4H3,(H,27,30)
InChIKeyRBIGAQWHWUIDCI-UHFFFAOYSA-N
XLogP4.44
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)-3-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 18156560
2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 71949707
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46807296
N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642682
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55583357
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 40819121
methyl (2S)-3-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propanoate
CID 7833140
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]acetamide
CID 55781370
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 55713708
N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43067524
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 46414125) is N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide is CCN(CC)C(CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is RBIGAQWHWUIDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3S/c1-5-29(6-2)22(14-19-10-8-7-9-11-19)17-27-25(30)16-21-18-33-26(28-21)20-12-13-23(31-3)24(15-20)32-4/h7-13,15,18,22H,5-6,14,16-17H2,1-4H3,(H,27,30).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 467.64 g/mol, XLogP of 4.44, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46414125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).