N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

C23H18ClFN4O2S — CID 121123245

IUPACN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C23H18ClFN4O2S/c1-14-20(32-23(27-14)17-4-2-3-5-18(17)24)12-26-21(30)13-29-22(31)11-10-19(28-29)15-6-8-16(25)9-7-15/h2-11H,12-13H2,1H3,(H,26,30)
InChIKeyPQOPWYOSPPOWMN-UHFFFAOYSA-N
MW468.94 g/mol
LogP4.45
Rot. Bonds6

About N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121123245) has the molecular formula C23H18ClFN4O2S and a molecular weight of 468.94 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121123245
Molecular FormulaC23H18ClFN4O2S
Molecular Weight468.94 g/mol
Exact Mass468.08
IUPAC NameN-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C23H18ClFN4O2S/c1-14-20(32-23(27-14)17-4-2-3-5-18(17)24)12-26-21(30)13-29-22(31)11-10-19(28-29)15-6-8-16(25)9-7-15/h2-11H,12-13H2,1H3,(H,26,30)
InChIKeyPQOPWYOSPPOWMN-UHFFFAOYSA-N
XLogP4.45
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]acetamide
CID 90547206
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 121122269
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 71795660
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121123713
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7659841
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121123709
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121123145
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121123180
2-[3-(2-chlorophenyl)-6-oxopyridazin-1-yl]-N-[(1-propan-2-ylpyrrol-2-yl)methyl]acetamide
CID 71946740

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 121123245) is N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is PQOPWYOSPPOWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O2S/c1-14-20(32-23(27-14)17-4-2-3-5-18(17)24)12-26-21(30)13-29-22(31)11-10-19(28-29)15-6-8-16(25)9-7-15/h2-11H,12-13H2,1H3,(H,26,30).
What are the key properties of N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 468.94 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121123245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).