2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

C21H21N5O2S — CID 38939648

IUPAC2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCc1nc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)cs1
InChIInChI=1S/C21H21N5O2S/c1-14-24-18(13-29-14)16-4-2-15(3-5-16)10-20(27)25-17-6-7-19(23-11-17)26-9-8-22-21(28)12-26/h2-7,11,13H,8-10,12H2,1H3,(H,22,28)(H,25,27)
InChIKeyMRTDZOQMMDQBNE-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.63
Rot. Bonds5

About 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide

2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 38939648) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID38939648
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCc1nc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)cs1
InChIInChI=1S/C21H21N5O2S/c1-14-24-18(13-29-14)16-4-2-15(3-5-16)10-20(27)25-17-6-7-19(23-11-17)26-9-8-22-21(28)12-26/h2-7,11,13H,8-10,12H2,1H3,(H,22,28)(H,25,27)
InChIKeyMRTDZOQMMDQBNE-UHFFFAOYSA-N
XLogP2.63
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-methyl-1,3-thiazol-4-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide
CID 34592320
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34588783
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939794
2-[4-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]phenyl]acetamide
CID 31862065
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119846038
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]propanamide
CID 38940722
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-2-pyrrolidin-2-ylacetamide
CID 119846046
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
2-[(1S)-cyclopent-2-en-1-yl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38940674

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide (CID 38939648) is 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is Cc1nc(-c2ccc(CC(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2)cs1.
What is the InChIKey of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is MRTDZOQMMDQBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-14-24-18(13-29-14)16-4-2-15(3-5-16)10-20(27)25-17-6-7-19(23-11-17)26-9-8-22-21(28)12-26/h2-7,11,13H,8-10,12H2,1H3,(H,22,28)(H,25,27).
What are the key properties of 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide?
2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 407.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 38939648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).