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

C14H10BrFN4O2S2 — CID 156570284

IUPACN-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)c(Br)c2)=CC(c2nccs2)=NS1=O
InChIInChI=1S/C14H10BrFN4O2S2/c1-20-12(7-11(19-24(20)22)14-17-4-5-23-14)13(21)18-8-2-3-10(16)9(15)6-8/h2-7H,1H3,(H,18,21)
InChIKeyQKDVWBUNNCNFFY-UHFFFAOYSA-N
MW429.30 g/mol
LogP2.88
Rot. Bonds3

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

N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide (PubChem CID 156570284) has the molecular formula C14H10BrFN4O2S2 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide
PubChem CID156570284
Molecular FormulaC14H10BrFN4O2S2
Molecular Weight429.30 g/mol
Exact Mass427.94
IUPAC NameN-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)c(Br)c2)=CC(c2nccs2)=NS1=O
InChIInChI=1S/C14H10BrFN4O2S2/c1-20-12(7-11(19-24(20)22)14-17-4-5-23-14)13(21)18-8-2-3-10(16)9(15)6-8/h2-7H,1H3,(H,18,21)
InChIKeyQKDVWBUNNCNFFY-UHFFFAOYSA-N
XLogP2.88
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide (CID 156570284) is N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)Nc2ccc(F)c(Br)c2)=CC(c2nccs2)=NS1=O.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is QKDVWBUNNCNFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4O2S2/c1-20-12(7-11(19-24(20)22)14-17-4-5-23-14)13(21)18-8-2-3-10(16)9(15)6-8/h2-7H,1H3,(H,18,21).
What are the key properties of N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide?
N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 429.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 156570284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).