2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide

C12H10F3N3O2S — CID 3135976

IUPAC2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESNC1=NC(=O)CC(C(=O)Nc2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)6-2-1-3-7(4-6)17-10(20)8-5-9(19)18-11(16)21-8/h1-4,8H,5H2,(H,17,20)(H2,16,18,19)
InChIKeyMVEOTIAQJIYAKK-UHFFFAOYSA-N
MW317.29 g/mol
LogP1.99
Rot. Bonds2

About 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide

2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide (PubChem CID 3135976) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide.

Molecular Properties

Compound Name2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide
PubChem CID3135976
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide
SMILESNC1=NC(=O)CC(C(=O)Nc2cccc(C(F)(F)F)c2)S1
InChIInChI=1S/C12H10F3N3O2S/c13-12(14,15)6-2-1-3-7(4-6)17-10(20)8-5-9(19)18-11(16)21-8/h1-4,8H,5H2,(H,17,20)(H2,16,18,19)
InChIKeyMVEOTIAQJIYAKK-UHFFFAOYSA-N
XLogP1.99
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(3-trifluoromethyl-phenyl)-amine
CID 1090093
1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl N'-phenylimidothiocarbamate
CID 2833590
2-(3-oxothiomorpholin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 666903
2-((4,5-dihydro-1H-imidazol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide hydrochloride
CID 16194782
2-[(6-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135398997
2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135411087
2-(2,5-Dioxo-1-m-tolyl-pyrrolidin-3-yl)-1,3-diphenyl-isothiourea
CID 2833596
2-(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2939431
3-Ethyl-2-ethylimino-4-oxo-[1,3]thiazinane-6-carboxylic acid m-tolylamide
CID 3139558
2-[4-oxo-2-(1-piperidinyl)-5-thiazolyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3886672
2-[(4-hydroxy-5-methyl-6-oxo-1-phenyl-1,6-dihydro-2-pyrimidinyl)thio]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 135399402
N-(3,4-difluorophenyl)-2-[(4-oxo-6-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135401758

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide?
The IUPAC name of 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide (CID 3135976) is 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide.
What is the SMILES notation for 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide?
The canonical SMILES for 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide is NC1=NC(=O)CC(C(=O)Nc2cccc(C(F)(F)F)c2)S1.
What is the InChIKey of 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide?
The InChIKey is MVEOTIAQJIYAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c13-12(14,15)6-2-1-3-7(4-6)17-10(20)8-5-9(19)18-11(16)21-8/h1-4,8H,5H2,(H,17,20)(H2,16,18,19).
What are the key properties of 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide?
2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-N-[3-(trifluoromethyl)phenyl]-5,6-dihydro-1,3-thiazine-6-carboxamide is sourced from PubChem (CID 3135976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).