N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide

C20H15ClN4O2S — CID 30804121

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C20H15ClN4O2S/c21-17-8-4-2-5-13(17)9-15-11-22-20(28-15)24-18(26)12-25-19(27)16-7-3-1-6-14(16)10-23-25/h1-8,10-11H,9,12H2,(H,22,24,26)
InChIKeyZKFCRKCZHPJCDT-UHFFFAOYSA-N
MW410.89 g/mol
LogP3.74
Rot. Bonds5

About N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 30804121) has the molecular formula C20H15ClN4O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID30804121
Molecular FormulaC20H15ClN4O2S
Molecular Weight410.89 g/mol
Exact Mass410.06
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C20H15ClN4O2S/c21-17-8-4-2-5-13(17)9-15-11-22-20(28-15)24-18(26)12-25-19(27)16-7-3-1-6-14(16)10-23-25/h1-8,10-11H,9,12H2,(H,22,24,26)
InChIKeyZKFCRKCZHPJCDT-UHFFFAOYSA-N
XLogP3.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 36666377
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034757
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46671691
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 2282754
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 35955297
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-naphthalen-1-ylprop-2-enamide
CID 3928998
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 36782418
N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 55574993
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 46674552

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide (CID 30804121) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide is O=C(Cn1ncc2ccccc2c1=O)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is ZKFCRKCZHPJCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2S/c21-17-8-4-2-5-13(17)9-15-11-22-20(28-15)24-18(26)12-25-19(27)16-7-3-1-6-14(16)10-23-25/h1-8,10-11H,9,12H2,(H,22,24,26).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 410.89 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 30804121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).