2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

C16H14F3N3O3S — CID 17488913

IUPAC2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)13-4-1-11(2-5-13)9-20-15(23)12-3-6-14-21-26(24,25)8-7-22(14)10-12/h1-6,10H,7-9H2,(H,20,23)
InChIKeyHPHNBGMECMHRGD-UHFFFAOYSA-N
MW385.37 g/mol
LogP1.82
Rot. Bonds3

About 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (PubChem CID 17488913) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.

Molecular Properties

Compound Name2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
PubChem CID17488913
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1
InChIInChI=1S/C16H14F3N3O3S/c17-16(18,19)13-4-1-11(2-5-13)9-20-15(23)12-3-6-14-21-26(24,25)8-7-22(14)10-12/h1-6,10H,7-9H2,(H,20,23)
InChIKeyHPHNBGMECMHRGD-UHFFFAOYSA-N
XLogP1.82
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The IUPAC name of 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide (CID 17488913) is 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide.
What is the SMILES notation for 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The canonical SMILES for 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1.
What is the InChIKey of 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
The InChIKey is HPHNBGMECMHRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c17-16(18,19)13-4-1-11(2-5-13)9-20-15(23)12-3-6-14-21-26(24,25)8-7-22(14)10-12/h1-6,10H,7-9H2,(H,20,23).
What are the key properties of 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide?
2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide is sourced from PubChem (CID 17488913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).