2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C19H17F3N4OS — CID 58376892

IUPAC2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESC=C1C[C@@](C)(c2cncc(CC(=O)c3ccc(C(F)(F)F)cn3)c2)N=C(N)S1
InChIInChI=1S/C19H17F3N4OS/c1-11-7-18(2,26-17(23)28-11)14-5-12(8-24-9-14)6-16(27)15-4-3-13(10-25-15)19(20,21)22/h3-5,8-10H,1,6-7H2,2H3,(H2,23,26)/t18-/m0/s1
InChIKeyFSTJSUMHJVXLOV-SFHVURJKSA-N
MW406.43 g/mol
LogP4.10
Rot. Bonds4

About 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone

2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 58376892) has the molecular formula C19H17F3N4OS and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID58376892
Molecular FormulaC19H17F3N4OS
Molecular Weight406.43 g/mol
Exact Mass406.11
IUPAC Name2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESC=C1C[C@@](C)(c2cncc(CC(=O)c3ccc(C(F)(F)F)cn3)c2)N=C(N)S1
InChIInChI=1S/C19H17F3N4OS/c1-11-7-18(2,26-17(23)28-11)14-5-12(8-24-9-14)6-16(27)15-4-3-13(10-25-15)19(20,21)22/h3-5,8-10H,1,6-7H2,2H3,(H2,23,26)/t18-/m0/s1
InChIKeyFSTJSUMHJVXLOV-SFHVURJKSA-N
XLogP4.10
TPSA81.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 58376892) is 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is C=C1C[C@@](C)(c2cncc(CC(=O)c3ccc(C(F)(F)F)cn3)c2)N=C(N)S1.
What is the InChIKey of 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is FSTJSUMHJVXLOV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H17F3N4OS/c1-11-7-18(2,26-17(23)28-11)14-5-12(8-24-9-14)6-16(27)15-4-3-13(10-25-15)19(20,21)22/h3-5,8-10H,1,6-7H2,2H3,(H2,23,26)/t18-/m0/s1.
What are the key properties of 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 406.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-3-pyridinyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 58376892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).