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

C9H13N3OS — CID 106420090

IUPAC5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCc2ccno2)SC1
InChIInChI=1S/C9H13N3OS/c1-7-4-10-9(14-6-7)11-5-8-2-3-12-13-8/h2-3,7H,4-6H2,1H3,(H,10,11)
InChIKeyANJODUIDOLAAIC-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.50
Rot. Bonds2

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

5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106420090) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106420090
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1CN=C(NCc2ccno2)SC1
InChIInChI=1S/C9H13N3OS/c1-7-4-10-9(14-6-7)11-5-8-2-3-12-13-8/h2-3,7H,4-6H2,1H3,(H,10,11)
InChIKeyANJODUIDOLAAIC-UHFFFAOYSA-N
XLogP1.50
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106420090) is 5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1CN=C(NCc2ccno2)SC1.
What is the InChIKey of 5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ANJODUIDOLAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-7-4-10-9(14-6-7)11-5-8-2-3-12-13-8/h2-3,7H,4-6H2,1H3,(H,10,11).
What are the key properties of 5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 211.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1,2-oxazol-5-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106420090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).