N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide

C22H23N3O2S — CID 110386672

IUPACN-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(CN2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23N3O2S/c26-21(14-18-16-28-22(24-18)15-25-12-4-5-13-25)23-17-8-10-20(11-9-17)27-19-6-2-1-3-7-19/h1-3,6-11,16H,4-5,12-15H2,(H,23,26)
InChIKeyGQGDYHIEKFTXFA-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.71
Rot. Bonds7

About N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide

N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110386672) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110386672
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(CN2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23N3O2S/c26-21(14-18-16-28-22(24-18)15-25-12-4-5-13-25)23-17-8-10-20(11-9-17)27-19-6-2-1-3-7-19/h1-3,6-11,16H,4-5,12-15H2,(H,23,26)
InChIKeyGQGDYHIEKFTXFA-UHFFFAOYSA-N
XLogP4.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386648
N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567910
2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 24855603
N-(3-chloro-2-methylphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386650
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 41211729
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017
N-butan-2-yl-2-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386823
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-phenoxyphenyl)acetamide
CID 18571965
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide (CID 110386672) is N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(CN2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is GQGDYHIEKFTXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-21(14-18-16-28-22(24-18)15-25-12-4-5-13-25)23-17-8-10-20(11-9-17)27-19-6-2-1-3-7-19/h1-3,6-11,16H,4-5,12-15H2,(H,23,26).
What are the key properties of N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide?
N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110386672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).