N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide

C18H20FN5OS — CID 59250418

IUPACN-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
SMILESCC1(C)C[C@@](C)(c2cc(NC(=O)c3ncccc3F)ccn2)N=C(N)S1
InChIInChI=1S/C18H20FN5OS/c1-17(2)10-18(3,24-16(20)26-17)13-9-11(6-8-21-13)23-15(25)14-12(19)5-4-7-22-14/h4-9H,10H2,1-3H3,(H2,20,24)(H,21,23,25)/t18-/m0/s1
InChIKeyYDJXVZIDQIWZQL-SFHVURJKSA-N
MW373.46 g/mol
LogP3.31
Rot. Bonds3

About N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide

N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide (PubChem CID 59250418) has the molecular formula C18H20FN5OS and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
PubChem CID59250418
Molecular FormulaC18H20FN5OS
Molecular Weight373.46 g/mol
Exact Mass373.14
IUPAC NameN-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide
SMILESCC1(C)C[C@@](C)(c2cc(NC(=O)c3ncccc3F)ccn2)N=C(N)S1
InChIInChI=1S/C18H20FN5OS/c1-17(2)10-18(3,24-16(20)26-17)13-9-11(6-8-21-13)23-15(25)14-12(19)5-4-7-22-14/h4-9H,10H2,1-3H3,(H2,20,24)(H,21,23,25)/t18-/m0/s1
InChIKeyYDJXVZIDQIWZQL-SFHVURJKSA-N
XLogP3.31
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Atabecestat
CID 68254185
Example 1 (WO2011029803)
CID 50938551
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 25115954
N-[3-(1-amino-5-fluoro-3-methyl-4H-2,7-naphthyridin-3-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 56968932
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-bromopyridine-2-carboxamide
CID 155903124
Pmid21907142CJ
CID 16058767
N-[3-(3-amino-4-thia-2-azabicyclo[5.1.0]oct-2-en-1-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 71720622
N-[3-[(4S)-2-amino-4-(fluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 164624547
N-[3-[(4aR,7aS)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 44198935
N-[3-[(4S)-2-amino-4-methyl-6-methylidene-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 44547856
N-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 53242161
N-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 56956281

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide (CID 59250418) is N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide is CC1(C)C[C@@](C)(c2cc(NC(=O)c3ncccc3F)ccn2)N=C(N)S1.
What is the InChIKey of N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide?
The InChIKey is YDJXVZIDQIWZQL-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FN5OS/c1-17(2)10-18(3,24-16(20)26-17)13-9-11(6-8-21-13)23-15(25)14-12(19)5-4-7-22-14/h4-9H,10H2,1-3H3,(H2,20,24)(H,21,23,25)/t18-/m0/s1.
What are the key properties of N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide?
N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 59250418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).