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

C14H10ClFN4OS2 — CID 146619262

IUPACN-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1SN=C(c2ccsn2)C=C1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFN4OS2/c1-20-13(7-12(19-23-20)11-4-5-22-18-11)14(21)17-8-2-3-10(16)9(15)6-8/h2-7H,1H3,(H,17,21)
InChIKeyRGADUXSYAAUOEC-UHFFFAOYSA-N
MW368.85 g/mol
LogP3.76
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 146619262) has the molecular formula C14H10ClFN4OS2 and a molecular weight of 368.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID146619262
Molecular FormulaC14H10ClFN4OS2
Molecular Weight368.85 g/mol
Exact Mass368.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1SN=C(c2ccsn2)C=C1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H10ClFN4OS2/c1-20-13(7-12(19-23-20)11-4-5-22-18-11)14(21)17-8-2-3-10(16)9(15)6-8/h2-7H,1H3,(H,17,21)
InChIKeyRGADUXSYAAUOEC-UHFFFAOYSA-N
XLogP3.76
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide
CID 135316902
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
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
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-(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-(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-(2-methylsulfonylethyl)-1,1-dioxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide
CID 135318169
N-(3-chloro-4-fluorophenyl)-2-methyl-1,1-dioxo-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazinane-3-carboxamide
CID 135318357
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-5-(2-methyl-1,3-thiazol-4-yl)furan-2-carboxamide
CID 110383862
4-amino-N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357288

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide (CID 146619262) is N-(3-chloro-4-fluorophenyl)-2-methyl-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-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide is CN1SN=C(c2ccsn2)C=C1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is RGADUXSYAAUOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4OS2/c1-20-13(7-12(19-23-20)11-4-5-22-18-11)14(21)17-8-2-3-10(16)9(15)6-8/h2-7H,1H3,(H,17,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 368.85 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-methyl-5-(1,2-thiazol-3-yl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 146619262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).