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

C19H23FN6O2S — CID 59250370

IUPACN-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
SMILESCC1(C)C[C@@](C)(c2cncc(NC(=O)c3cnc(OCCF)cn3)c2)N=C(N)S1
InChIInChI=1S/C19H23FN6O2S/c1-18(2)11-19(3,26-17(21)29-18)12-6-13(8-22-7-12)25-16(27)14-9-24-15(10-23-14)28-5-4-20/h6-10H,4-5,11H2,1-3H3,(H2,21,26)(H,25,27)/t19-/m0/s1
InChIKeyJRMOQRZKNLRTOF-IBGZPJMESA-N
MW418.50 g/mol
LogP2.92
Rot. Bonds6

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

N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide (PubChem CID 59250370) has the molecular formula C19H23FN6O2S and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
PubChem CID59250370
Molecular FormulaC19H23FN6O2S
Molecular Weight418.50 g/mol
Exact Mass418.16
IUPAC NameN-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
SMILESCC1(C)C[C@@](C)(c2cncc(NC(=O)c3cnc(OCCF)cn3)c2)N=C(N)S1
InChIInChI=1S/C19H23FN6O2S/c1-18(2)11-19(3,26-17(21)29-18)12-6-13(8-22-7-12)25-16(27)14-9-24-15(10-23-14)28-5-4-20/h6-10H,4-5,11H2,1-3H3,(H2,21,26)(H,25,27)/t19-/m0/s1
InChIKeyJRMOQRZKNLRTOF-IBGZPJMESA-N
XLogP2.92
TPSA115.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-[(4S,6R)-2-amino-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 126488639
2-[2-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-4-pyridinyl]-1-[5-(2-methoxyethoxy)pyrazin-2-yl]ethanone
CID 152924752
N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123744808
N-[3-[(4S,6R)-2-amino-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4,5-difluorophenyl]-5-pent-3-ynoxypyrazine-2-carboxamide
CID 126488665
N-[5-[(1S,5S,6S)-3-amino-1-(fluoromethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-6-fluoro-3-pyridinyl]-5-prop-2-ynoxypyrazine-2-carboxamide
CID 118866203
N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123805645
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-phenylmethoxypyrazine-2-carboxamide
CID 59250975
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4,5-difluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68943180
(4S,6R)-2-amino-N-(2,2-difluoroethyl)-4-[2-fluoro-5-[[5-(2,2,2-trifluoroethoxy)pyrazine-2-carbonyl]amino]phenyl]-4,6-dimethyl-5H-1,3-thiazine-6-carboxamide
CID 126488419
N-[3-[(1S,5R,6S)-3-amino-1-(fluoromethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 118866462
N-[3-(2-amino-4-methyl-9-oxa-1-thia-3-azaspiro[5.5]undec-2-en-4-yl)-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 78166631
N-[5-[(1S,5S)-3-amino-1-(fluoromethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-6-methoxy-3-pyridinyl]-5-prop-2-ynoxypyrazine-2-carboxamide
CID 126488267

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide (CID 59250370) is N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide is CC1(C)C[C@@](C)(c2cncc(NC(=O)c3cnc(OCCF)cn3)c2)N=C(N)S1.
What is the InChIKey of N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is JRMOQRZKNLRTOF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN6O2S/c1-18(2)11-19(3,26-17(21)29-18)12-6-13(8-22-7-12)25-16(27)14-9-24-15(10-23-14)28-5-4-20/h6-10H,4-5,11H2,1-3H3,(H2,21,26)(H,25,27)/t19-/m0/s1.
What are the key properties of N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 59250370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).