N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C18H17F3N4OS — CID 59374760

IUPACN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)CCSC(N)=N1
InChIInChI=1S/C18H17F3N4OS/c1-17(7-8-27-16(22)25-17)11-3-2-4-13(9-11)24-15(26)14-6-5-12(10-23-14)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,25)(H,24,26)
InChIKeyLIIKCMUGEUYUSJ-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.02
Rot. Bonds3

About N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 59374760) has the molecular formula C18H17F3N4OS and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID59374760
Molecular FormulaC18H17F3N4OS
Molecular Weight394.42 g/mol
Exact Mass394.11
IUPAC NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)CCSC(N)=N1
InChIInChI=1S/C18H17F3N4OS/c1-17(7-8-27-16(22)25-17)11-3-2-4-13(9-11)24-15(26)14-6-5-12(10-23-14)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,25)(H,24,26)
InChIKeyLIIKCMUGEUYUSJ-UHFFFAOYSA-N
XLogP4.02
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide 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 N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 59374760) is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CC1(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)CCSC(N)=N1.
What is the InChIKey of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LIIKCMUGEUYUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS/c1-17(7-8-27-16(22)25-17)11-3-2-4-13(9-11)24-15(26)14-6-5-12(10-23-14)18(19,20)21/h2-6,9-10H,7-8H2,1H3,(H2,22,25)(H,24,26).
What are the key properties of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 394.42 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 59374760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).