N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide

C18H20FN5O4S — CID 89094878

IUPACN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)c3c[nH]c(=O)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H20FN5O4S/c1-17(2)16(20)24-18(3,9-29(17,27)28)11-6-10(4-5-12(11)19)23-15(26)13-7-22-14(25)8-21-13/h4-8H,9H2,1-3H3,(H2,20,24)(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyHJJCDTGCXVTDHN-SFHVURJKSA-N
MW421.45 g/mol
LogP0.94
Rot. Bonds3

About N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide

N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 89094878) has the molecular formula C18H20FN5O4S and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID89094878
Molecular FormulaC18H20FN5O4S
Molecular Weight421.45 g/mol
Exact Mass421.12
IUPAC NameN-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC1(C)C(N)=N[C@](C)(c2cc(NC(=O)c3c[nH]c(=O)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H20FN5O4S/c1-17(2)16(20)24-18(3,9-29(17,27)28)11-6-10(4-5-12(11)19)23-15(26)13-7-22-14(25)8-21-13/h4-8H,9H2,1-3H3,(H2,20,24)(H,22,25)(H,23,26)/t18-/m0/s1
InChIKeyHJJCDTGCXVTDHN-SFHVURJKSA-N
XLogP0.94
TPSA147.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide with MolForge

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Related Compounds

N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,2-difluoropropanamide
CID 66562863
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide
CID 66562958
N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1lambda6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2,2-difluoroacetamide
CID 85472573
N-[3-[(3R)-5-amino-3,9-dimethyl-1,1-dioxo-1lambda6-thia-4,9-diazaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-2-methoxyacetamide
CID 85472574
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]propanamide
CID 89094874
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]cyclopropanecarboxamide
CID 89094885
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-3,3,3-trifluoropropanamide
CID 89094946
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoroacetamide
CID 89094947
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]propanamide
CID 89094948
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4,5-difluorophenyl]-2,2-difluoropropanamide
CID 89094951
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-3,3,3-trifluoropropanamide
CID 89095159
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 117870548

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide (CID 89094878) is N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide is CC1(C)C(N)=N[C@](C)(c2cc(NC(=O)c3c[nH]c(=O)cn3)ccc2F)CS1(=O)=O.
What is the InChIKey of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is HJJCDTGCXVTDHN-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FN5O4S/c1-17(2)16(20)24-18(3,9-29(17,27)28)11-6-10(4-5-12(11)19)23-15(26)13-7-22-14(25)8-21-13/h4-8H,9H2,1-3H3,(H2,20,24)(H,22,25)(H,23,26)/t18-/m0/s1.
What are the key properties of N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide?
N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 89094878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).