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

C23H25N3O3S — CID 55499177

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCCC3c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C23H25N3O3S/c1-28-17-10-11-18(21(13-17)29-2)19-15-30-23(24-19)25-22(27)14-26-12-6-9-20(26)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-2H3,(H,24,25,27)
InChIKeyHBQHWEIIQRWPLU-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.60
Rot. Bonds7

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

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide (PubChem CID 55499177) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
PubChem CID55499177
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide
SMILESCOc1ccc(-c2csc(NC(=O)CN3CCCC3c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C23H25N3O3S/c1-28-17-10-11-18(21(13-17)29-2)19-15-30-23(24-19)25-22(27)14-26-12-6-9-20(26)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-2H3,(H,24,25,27)
InChIKeyHBQHWEIIQRWPLU-UHFFFAOYSA-N
XLogP4.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 55437110
2-(4-benzoylpiperazin-1-yl)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 24594067
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 46558789
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24593769
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 24593603
(2R)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32620349
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 29415371
tert-butyl 4-[[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46667929
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-fluorophenyl)morpholin-4-yl]acetamide
CID 46571445
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254805

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide (CID 55499177) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide is COc1ccc(-c2csc(NC(=O)CN3CCCC3c3ccccc3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is HBQHWEIIQRWPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-28-17-10-11-18(21(13-17)29-2)19-15-30-23(24-19)25-22(27)14-26-12-6-9-20(26)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,15,20H,6,9,12,14H2,1-2H3,(H,24,25,27).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 423.54 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 55499177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).