N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide

C18H15FN8OS — CID 53242162

IUPACN-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3cnc(-n4nccn4)cn3)ccc2F)C=CSC(N)=N1
InChIInChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)26-18)12-8-11(2-3-13(12)19)25-16(28)14-9-22-15(10-21-14)27-23-5-6-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1
InChIKeyOYPUAKBOHVWSIH-SFHVURJKSA-N
MW410.44 g/mol
LogP2.24
Rot. Bonds4

About N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide

N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (PubChem CID 53242162) has the molecular formula C18H15FN8OS and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
PubChem CID53242162
Molecular FormulaC18H15FN8OS
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC NameN-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3cnc(-n4nccn4)cn3)ccc2F)C=CSC(N)=N1
InChIInChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)26-18)12-8-11(2-3-13(12)19)25-16(28)14-9-22-15(10-21-14)27-23-5-6-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1
InChIKeyOYPUAKBOHVWSIH-SFHVURJKSA-N
XLogP2.24
TPSA123.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-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-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide (CID 53242162) is N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is C[C@@]1(c2cc(NC(=O)c3cnc(-n4nccn4)cn3)ccc2F)C=CSC(N)=N1.
What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is OYPUAKBOHVWSIH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15FN8OS/c1-18(4-7-29-17(20)26-18)12-8-11(2-3-13(12)19)25-16(28)14-9-22-15(10-21-14)27-23-5-6-24-27/h2-10H,1H3,(H2,20,26)(H,25,28)/t18-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide?
N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(triazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 53242162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).