N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide

C19H21ClN4O3S — CID 53136523

IUPACN-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1ncc2c(c1=O)N(CC(C)C)C(=O)CS2
InChIInChI=1S/C19H21ClN4O3S/c1-11(2)8-23-17(26)10-28-15-7-21-24(19(27)18(15)23)9-16(25)22-14-6-4-5-13(20)12(14)3/h4-7,11H,8-10H2,1-3H3,(H,22,25)
InChIKeyRKISPUZNISAUJZ-UHFFFAOYSA-N
MW420.92 g/mol
LogP2.94
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide

N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide (PubChem CID 53136523) has the molecular formula C19H21ClN4O3S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
PubChem CID53136523
Molecular FormulaC19H21ClN4O3S
Molecular Weight420.92 g/mol
Exact Mass420.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cn1ncc2c(c1=O)N(CC(C)C)C(=O)CS2
InChIInChI=1S/C19H21ClN4O3S/c1-11(2)8-23-17(26)10-28-15-7-21-24(19(27)18(15)23)9-16(25)22-14-6-4-5-13(20)12(14)3/h4-7,11H,8-10H2,1-3H3,(H,22,25)
InChIKeyRKISPUZNISAUJZ-UHFFFAOYSA-N
XLogP2.94
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136512
2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)-N-(2-methylphenyl)acetamide
CID 53136385
N-(2-chloro-6-methylphenyl)-2-(4-cyclopropyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136446
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520530
N-(3-chloro-2-methylphenyl)-2-indazol-1-ylacetamide
CID 20885235
N-(4-chlorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136288
2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)-N-propan-2-ylacetamide
CID 53136295
N-(3,4-dimethylphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136377
N-(4-bromophenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136393
N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide
CID 20947727
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-propan-2-ylpyridazino[4,5-b][1,4]thiazin-6-yl)acetamide
CID 53136379

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide (CID 53136523) is N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide is Cc1c(Cl)cccc1NC(=O)Cn1ncc2c(c1=O)N(CC(C)C)C(=O)CS2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide?
The InChIKey is RKISPUZNISAUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3S/c1-11(2)8-23-17(26)10-28-15-7-21-24(19(27)18(15)23)9-16(25)22-14-6-4-5-13(20)12(14)3/h4-7,11H,8-10H2,1-3H3,(H,22,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide has a molecular weight of 420.92 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide is sourced from PubChem (CID 53136523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).