N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide

C19H16N4O4S2 — CID 166226115

IUPACN-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN2C(=O)Nc3ccccc3S2(=O)=O)cs1
InChIInChI=1S/C19H16N4O4S2/c1-13(24)23(15-7-3-2-4-8-15)19-20-14(12-28-19)11-22-18(25)21-16-9-5-6-10-17(16)29(22,26)27/h2-10,12H,11H2,1H3,(H,21,25)
InChIKeyPOYCRRQDHJGEEY-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.56
Rot. Bonds4

About N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 166226115) has the molecular formula C19H16N4O4S2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID166226115
Molecular FormulaC19H16N4O4S2
Molecular Weight428.50 g/mol
Exact Mass428.06
IUPAC NameN-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccccc1)c1nc(CN2C(=O)Nc3ccccc3S2(=O)=O)cs1
InChIInChI=1S/C19H16N4O4S2/c1-13(24)23(15-7-3-2-4-8-15)19-20-14(12-28-19)11-22-18(25)21-16-9-5-6-10-17(16)29(22,26)27/h2-10,12H,11H2,1H3,(H,21,25)
InChIKeyPOYCRRQDHJGEEY-UHFFFAOYSA-N
XLogP3.56
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16610630
N-[4-[(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617051
N-[4-[[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617037
N-[4-[(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 112769780
N-[4-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8596103
N-[4-[[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617042
N-[4-[[5-(2-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24616995
N-[4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 42121020
N-[4-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 16611468
N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617001
N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 17443677
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 2-hydroxybenzoate
CID 7797536

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 166226115) is N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1ccccc1)c1nc(CN2C(=O)Nc3ccccc3S2(=O)=O)cs1.
What is the InChIKey of N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is POYCRRQDHJGEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4S2/c1-13(24)23(15-7-3-2-4-8-15)19-20-14(12-28-19)11-22-18(25)21-16-9-5-6-10-17(16)29(22,26)27/h2-10,12H,11H2,1H3,(H,21,25).
What are the key properties of N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 428.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[(1,1,3-trioxo-4H-1λ6,2,4-benzothiadiazin-2-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 166226115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).