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

C16H18N4O2S — CID 158260346

IUPAC2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(C(=O)Cc2cncc([C@]3(C)CCSC(N)=N3)c2)on1
InChIInChI=1S/C16H18N4O2S/c1-10-5-14(22-20-10)13(21)7-11-6-12(9-18-8-11)16(2)3-4-23-15(17)19-16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,19)/t16-/m0/s1
InChIKeyGHUKNEFQWPLOHI-INIZCTEOSA-N
MW330.41 g/mol
LogP2.47
Rot. Bonds4

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

2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone (PubChem CID 158260346) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
PubChem CID158260346
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCc1cc(C(=O)Cc2cncc([C@]3(C)CCSC(N)=N3)c2)on1
InChIInChI=1S/C16H18N4O2S/c1-10-5-14(22-20-10)13(21)7-11-6-12(9-18-8-11)16(2)3-4-23-15(17)19-16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,19)/t16-/m0/s1
InChIKeyGHUKNEFQWPLOHI-INIZCTEOSA-N
XLogP2.47
TPSA94.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone (CID 158260346) is 2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone is Cc1cc(C(=O)Cc2cncc([C@]3(C)CCSC(N)=N3)c2)on1.
What is the InChIKey of 2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is GHUKNEFQWPLOHI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10-5-14(22-20-10)13(21)7-11-6-12(9-18-8-11)16(2)3-4-23-15(17)19-16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,19)/t16-/m0/s1.
What are the key properties of 2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone?
2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 330.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-3-pyridinyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 158260346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).