4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine

C15H19N3OS — CID 82025300

IUPAC4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCCN1CC(C)Oc2ccc(-c3nc(N)sc3C)cc21
InChIInChI=1S/C15H19N3OS/c1-4-18-8-9(2)19-13-6-5-11(7-12(13)18)14-10(3)20-15(16)17-14/h5-7,9H,4,8H2,1-3H3,(H2,16,17)
InChIKeyOANJMDRQUSXYMZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.31
Rot. Bonds2

About 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine

4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 82025300) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID82025300
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCCN1CC(C)Oc2ccc(-c3nc(N)sc3C)cc21
InChIInChI=1S/C15H19N3OS/c1-4-18-8-9(2)19-13-6-5-11(7-12(13)18)14-10(3)20-15(16)17-14/h5-7,9H,4,8H2,1-3H3,(H2,16,17)
InChIKeyOANJMDRQUSXYMZ-UHFFFAOYSA-N
XLogP3.31
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine (CID 82025300) is 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine is CCN1CC(C)Oc2ccc(-c3nc(N)sc3C)cc21.
What is the InChIKey of 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is OANJMDRQUSXYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-18-8-9(2)19-13-6-5-11(7-12(13)18)14-10(3)20-15(16)17-14/h5-7,9H,4,8H2,1-3H3,(H2,16,17).
What are the key properties of 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine?
4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82025300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).