N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide

C22H30N4O2S — CID 44562901

IUPACN-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide
SMILESCC(=O)NCC(=O)CN1CCN(CCc2ccc(-c3nc(C)sc3C)cc2)CC1
InChIInChI=1S/C22H30N4O2S/c1-16-22(24-18(3)29-16)20-6-4-19(5-7-20)8-9-25-10-12-26(13-11-25)15-21(28)14-23-17(2)27/h4-7H,8-15H2,1-3H3,(H,23,27)
InChIKeyPAKUJBQJTWQKID-UHFFFAOYSA-N
MW414.58 g/mol
LogP2.29
Rot. Bonds8

About N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide

N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide (PubChem CID 44562901) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide
PubChem CID44562901
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide
SMILESCC(=O)NCC(=O)CN1CCN(CCc2ccc(-c3nc(C)sc3C)cc2)CC1
InChIInChI=1S/C22H30N4O2S/c1-16-22(24-18(3)29-16)20-6-4-19(5-7-20)8-9-25-10-12-26(13-11-25)15-21(28)14-23-17(2)27/h4-7H,8-15H2,1-3H3,(H,23,27)
InChIKeyPAKUJBQJTWQKID-UHFFFAOYSA-N
XLogP2.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
CID 10433314
N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 71563366
1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)propan-1-one
CID 8031909
2-[4-(2-Benzyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5o)
CID 73443010
N1-(2,5-dimethylphenyl)-N2-(2-(2-(3-fluorophenyl)thiazol-4-yl)ethyl)oxalamide
CID 7216690
N'-(2,6-Dimethylphenyl)-N-{2-[2-(4-methylphenyl)-1,3-thiazol-4-YL]ethyl}ethanediamide
CID 7287552
N1-(3-acetamidophenyl)-N2-(2-(4-methyl-2-phenylthiazol-5-yl)ethyl)oxalamide
CID 16031939
N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-2-[1-(4-methylbenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24817616
2-(4-tert-butylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 44526063
2-(4-tert-butylphenyl)-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 44526064
(2S,4R)-1-[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165138388
2-[4-(4-Florophenyl)piperazine-1-yl]-4-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5h)
CID 129625899

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide?
The IUPAC name of N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide (CID 44562901) is N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide.
What is the SMILES notation for N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide?
The canonical SMILES for N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide is CC(=O)NCC(=O)CN1CCN(CCc2ccc(-c3nc(C)sc3C)cc2)CC1.
What is the InChIKey of N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide?
The InChIKey is PAKUJBQJTWQKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-16-22(24-18(3)29-16)20-6-4-19(5-7-20)8-9-25-10-12-26(13-11-25)15-21(28)14-23-17(2)27/h4-7H,8-15H2,1-3H3,(H,23,27).
What are the key properties of N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide?
N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide has a molecular weight of 414.58 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]ethyl]piperazin-1-yl]-2-oxopropyl]acetamide is sourced from PubChem (CID 44562901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).