2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide

C19H25N5O3S — CID 163368466

IUPAC2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1
InChIInChI=1S/C19H25N5O3S/c1-14(25)21-19-20-11-17(28-19)12-23-6-8-24(9-7-23)13-18(26)22-15-4-3-5-16(10-15)27-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,22,26)(H,20,21,25)
InChIKeyGEVLGGZJSFOSPJ-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.87
Rot. Bonds7

About 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 163368466) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID163368466
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)CN2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1
InChIInChI=1S/C19H25N5O3S/c1-14(25)21-19-20-11-17(28-19)12-23-6-8-24(9-7-23)13-18(26)22-15-4-3-5-16(10-15)27-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,22,26)(H,20,21,25)
InChIKeyGEVLGGZJSFOSPJ-UHFFFAOYSA-N
XLogP1.87
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 16068639
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 6462201
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 662484
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(4-methoxyphenyl)acetamide
CID 163368410
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-(3,4-dimethoxyphenyl)acetamide
CID 163368442
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 163368444
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-[(4-methoxyphenyl)methyl]acetamide
CID 163368455
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 866705
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-N-[(1,1-dimethyl-propylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205574
N''-(3-methoxyphenyl)-N''-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-N-(2-thiazolyl)butanediamide
CID 3205683
2-((3-(4-methoxyphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 3373843
1,1,1,3,3,3-Hexafluoro-2-(2-(4-(3-methoxyphenyl)piperazin-1-yl)thiazol-5-yl)propan-2-ol
CID 52940787

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 163368466) is 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)CN2CCN(Cc3cnc(NC(C)=O)s3)CC2)c1.
What is the InChIKey of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is GEVLGGZJSFOSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-14(25)21-19-20-11-17(28-19)12-23-6-8-24(9-7-23)13-18(26)22-15-4-3-5-16(10-15)27-2/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,22,26)(H,20,21,25).
What are the key properties of 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 403.51 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 163368466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).