N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide

C14H10ClFN4O3S2 — CID 135316902

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)c(Cl)c2)=CC(c2ccsn2)=NS1(=O)=O
InChIInChI=1S/C14H10ClFN4O3S2/c1-20-13(14(21)17-8-2-3-10(16)9(15)6-8)7-12(19-25(20,22)23)11-4-5-24-18-11/h2-7H,1H3,(H,17,21)
InChIKeyZJJFOUZQJQTHGV-UHFFFAOYSA-N
MW400.84 g/mol
LogP2.44
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 135316902) has the molecular formula C14H10ClFN4O3S2 and a molecular weight of 400.84 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID135316902
Molecular FormulaC14H10ClFN4O3S2
Molecular Weight400.84 g/mol
Exact Mass399.99
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)c(Cl)c2)=CC(c2ccsn2)=NS1(=O)=O
InChIInChI=1S/C14H10ClFN4O3S2/c1-20-13(14(21)17-8-2-3-10(16)9(15)6-8)7-12(19-25(20,22)23)11-4-5-24-18-11/h2-7H,1H3,(H,17,21)
InChIKeyZJJFOUZQJQTHGV-UHFFFAOYSA-N
XLogP2.44
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide
CID 146619262
5-(5-bromo-1,3-thiazol-2-yl)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 135318026
5-(1,3-benzothiazol-2-yl)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 135316378
5-(4-bromo-1,3-thiazol-2-yl)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 135317121
N-(3-chloro-4-fluorophenyl)-2-methyl-5-[4-methyl-5-(1-methylpyrazol-4-yl)thiophen-2-yl]-1,1-dioxo-1,2,6-thiadiazine-3-carboxamide
CID 151575402
N-(3-chloro-4-fluorophenyl)-2-methyl-5-(5-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,6-thiadiazine-3-carboxamide
CID 142420013
N-(3-chloro-4-fluorophenyl)-2-(2-methylsulfonylethyl)-1,1-dioxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide
CID 135318169
5-(5-bromothiophen-2-yl)-2-methyl-1,1-dioxo-N-(3,4,5-trifluorophenyl)-1,2,6-thiadiazine-3-carboxamide
CID 166808339
N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 135318357
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
CID 47338086
N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazinane-3-carboxamide;(3R,5S)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazinane-3-carboxamide;(3S,5R)-N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazinane-3-carboxamide;methane
CID 161011771
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide (CID 135316902) is N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)Nc2ccc(F)c(Cl)c2)=CC(c2ccsn2)=NS1(=O)=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is ZJJFOUZQJQTHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O3S2/c1-20-13(14(21)17-8-2-3-10(16)9(15)6-8)7-12(19-25(20,22)23)11-4-5-24-18-11/h2-7H,1H3,(H,17,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 400.84 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 135316902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).