2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C20H23N7O2S — CID 86891941

IUPAC2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(=O)n(CC(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)n1
InChIInChI=1S/C20H23N7O2S/c1-15-5-6-19(29)27(24-15)13-18(28)23-20-22-16(14-30-20)12-25-8-10-26(11-9-25)17-4-2-3-7-21-17/h2-7,14H,8-13H2,1H3,(H,22,23,28)
InChIKeyMENNOQALTCPZDI-UHFFFAOYSA-N
MW425.52 g/mol
LogP1.36
Rot. Bonds6

About 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86891941) has the molecular formula C20H23N7O2S and a molecular weight of 425.52 g/mol. Its IUPAC name is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID86891941
Molecular FormulaC20H23N7O2S
Molecular Weight425.52 g/mol
Exact Mass425.16
IUPAC Name2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(=O)n(CC(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)n1
InChIInChI=1S/C20H23N7O2S/c1-15-5-6-19(29)27(24-15)13-18(28)23-20-22-16(14-30-20)12-25-8-10-26(11-9-25)17-4-2-3-7-21-17/h2-7,14H,8-13H2,1H3,(H,22,23,28)
InChIKeyMENNOQALTCPZDI-UHFFFAOYSA-N
XLogP1.36
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-amino-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119902916
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 90508032
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470537
1-(3-cyanophenyl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 154850983
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 71866668
2-(3-methylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6470537
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
N-[4-[(4-fluoro-4-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 125143148
N-(2-bromophenyl)-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 50946792
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3568652
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 13345423

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 86891941) is 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1ccc(=O)n(CC(=O)Nc2nc(CN3CCN(c4ccccn4)CC3)cs2)n1.
What is the InChIKey of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is MENNOQALTCPZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2S/c1-15-5-6-19(29)27(24-15)13-18(28)23-20-22-16(14-30-20)12-25-8-10-26(11-9-25)17-4-2-3-7-21-17/h2-7,14H,8-13H2,1H3,(H,22,23,28).
What are the key properties of 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 425.52 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-6-oxopyridazin-1-yl)-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86891941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).