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

C16H11FN4O2S2 — CID 156570258

IUPACN-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)c(C#N)c2)=CC(c2cccs2)=NS1=O
InChIInChI=1S/C16H11FN4O2S2/c1-21-14(8-13(20-25(21)23)15-3-2-6-24-15)16(22)19-11-4-5-12(17)10(7-11)9-18/h2-8H,1H3,(H,19,22)
InChIKeyVJCVJDPPPYCHPJ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.59
Rot. Bonds3

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

N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide (PubChem CID 156570258) has the molecular formula C16H11FN4O2S2 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
PubChem CID156570258
Molecular FormulaC16H11FN4O2S2
Molecular Weight374.42 g/mol
Exact Mass374.03
IUPAC NameN-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
SMILESCN1C(C(=O)Nc2ccc(F)c(C#N)c2)=CC(c2cccs2)=NS1=O
InChIInChI=1S/C16H11FN4O2S2/c1-21-14(8-13(20-25(21)23)15-3-2-6-24-15)16(22)19-11-4-5-12(17)10(7-11)9-18/h2-8H,1H3,(H,19,22)
InChIKeyVJCVJDPPPYCHPJ-UHFFFAOYSA-N
XLogP2.59
TPSA85.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide
CID 156570159
2-methyl-1-methylidene-5-thiophen-2-yl-N-(3,4,5-trifluorophenyl)-1,2,6-thiadiazine-3-carboxamide
CID 142420165
N-(3-bromo-4-fluorophenyl)-2-methyl-1-oxo-5-(1,3-thiazol-2-yl)-1,2,6-thiadiazine-3-carboxamide
CID 156570284
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-cyano-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 62316843
propan-2-yl N-(3-cyano-4-fluorophenyl)carbamate
CID 62316495
N-(3-cyano-4-fluorophenyl)-5-iodothiophene-3-carboxamide
CID 78948945
N-(3-cyano-4-fluorophenyl)thiophene-3-carboxamide
CID 62316846
5-chloro-N-(3-cyano-4-fluorophenyl)-2-(methylamino)pyridine-4-carboxamide
CID 114923271
N-(3-cyano-4-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343561
5-amino-N-(3-cyano-4-fluorophenyl)pyrazine-2-carboxamide
CID 107375402
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide (CID 156570258) is N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide is CN1C(C(=O)Nc2ccc(F)c(C#N)c2)=CC(c2cccs2)=NS1=O.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
The InChIKey is VJCVJDPPPYCHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S2/c1-21-14(8-13(20-25(21)23)15-3-2-6-24-15)16(22)19-11-4-5-12(17)10(7-11)9-18/h2-8H,1H3,(H,19,22).
What are the key properties of N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide?
N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-2-methyl-1-oxo-5-thiophen-2-yl-1,2,6-thiadiazine-3-carboxamide is sourced from PubChem (CID 156570258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).