N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C22H20N4O2S2 — CID 55824864

IUPACN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1nc(-c2ccc(CCNC(=O)Cn3nc(-c4ccccc4)ccc3=O)s2)cs1
InChIInChI=1S/C22H20N4O2S2/c1-15-24-19(14-29-15)20-9-7-17(30-20)11-12-23-21(27)13-26-22(28)10-8-18(25-26)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,23,27)
InChIKeyUXBWDNYWHMNNDP-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.76
Rot. Bonds7

About N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 55824864) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID55824864
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC NameN-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCc1nc(-c2ccc(CCNC(=O)Cn3nc(-c4ccccc4)ccc3=O)s2)cs1
InChIInChI=1S/C22H20N4O2S2/c1-15-24-19(14-29-15)20-9-7-17(30-20)11-12-23-21(27)13-26-22(28)10-8-18(25-26)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,23,27)
InChIKeyUXBWDNYWHMNNDP-UHFFFAOYSA-N
XLogP3.76
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 55824864) is N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is Cc1nc(-c2ccc(CCNC(=O)Cn3nc(-c4ccccc4)ccc3=O)s2)cs1.
What is the InChIKey of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is UXBWDNYWHMNNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-15-24-19(14-29-15)20-9-7-17(30-20)11-12-23-21(27)13-26-22(28)10-8-18(25-26)16-5-3-2-4-6-16/h2-10,14H,11-13H2,1H3,(H,23,27).
What are the key properties of N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 55824864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).