2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone

C17H19N5OS — CID 159765448

IUPAC2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cc([C@]3(C)CCSC(N)=N3)ccn2)cn1
InChIInChI=1S/C17H19N5OS/c1-11-9-21-14(10-20-11)15(23)8-13-7-12(3-5-19-13)17(2)4-6-24-16(18)22-17/h3,5,7,9-10H,4,6,8H2,1-2H3,(H2,18,22)/t17-/m0/s1
InChIKeyNFLAHOGYUXDWAU-KRWDZBQOSA-N
MW341.44 g/mol
LogP2.27
Rot. Bonds4

About 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone

2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 159765448) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID159765448
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)Cc2cc([C@]3(C)CCSC(N)=N3)ccn2)cn1
InChIInChI=1S/C17H19N5OS/c1-11-9-21-14(10-20-11)15(23)8-13-7-12(3-5-19-13)17(2)4-6-24-16(18)22-17/h3,5,7,9-10H,4,6,8H2,1-2H3,(H2,18,22)/t17-/m0/s1
InChIKeyNFLAHOGYUXDWAU-KRWDZBQOSA-N
XLogP2.27
TPSA94.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone (CID 159765448) is 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)Cc2cc([C@]3(C)CCSC(N)=N3)ccn2)cn1.
What is the InChIKey of 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is NFLAHOGYUXDWAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-11-9-21-14(10-20-11)15(23)8-13-7-12(3-5-19-13)17(2)4-6-24-16(18)22-17/h3,5,7,9-10H,4,6,8H2,1-2H3,(H2,18,22)/t17-/m0/s1.
What are the key properties of 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone?
2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 341.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 159765448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).