N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C8H11N3OS — CID 106420088

IUPACN-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1cc(CNC2=NCCCS2)on1
InChIInChI=1S/C8H11N3OS/c1-3-9-8(13-5-1)10-6-7-2-4-11-12-7/h2,4H,1,3,5-6H2,(H,9,10)
InChIKeyWZMJOIOWPGLEBO-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.26
Rot. Bonds2

About N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106420088) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106420088
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1cc(CNC2=NCCCS2)on1
InChIInChI=1S/C8H11N3OS/c1-3-9-8(13-5-1)10-6-7-2-4-11-12-7/h2,4H,1,3,5-6H2,(H,9,10)
InChIKeyWZMJOIOWPGLEBO-UHFFFAOYSA-N
XLogP1.26
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106420088) is N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is c1cc(CNC2=NCCCS2)on1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is WZMJOIOWPGLEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-3-9-8(13-5-1)10-6-7-2-4-11-12-7/h2,4H,1,3,5-6H2,(H,9,10).
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 197.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106420088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).