4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine

C15H19N3OS — CID 82354834

IUPAC4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCCN1CC(C)(C)Oc2ccc(-c3csc(N)n3)cc21
InChIInChI=1S/C15H19N3OS/c1-4-18-9-15(2,3)19-13-6-5-10(7-12(13)18)11-8-20-14(16)17-11/h5-8H,4,9H2,1-3H3,(H2,16,17)
InChIKeyBUIPIIQTCMRTEP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.39
Rot. Bonds2

About 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine

4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (PubChem CID 82354834) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
PubChem CID82354834
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCCN1CC(C)(C)Oc2ccc(-c3csc(N)n3)cc21
InChIInChI=1S/C15H19N3OS/c1-4-18-9-15(2,3)19-13-6-5-10(7-12(13)18)11-8-20-14(16)17-11/h5-8H,4,9H2,1-3H3,(H2,16,17)
InChIKeyBUIPIIQTCMRTEP-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
CID 82025258
2-amino-1-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)ethanol
CID 82340302
4-(1-methyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-amine
CID 138751510
4-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-amine
CID 6497060
1-(6-fluoro-2,2-dimethyl-3H-1,4-benzoxazin-4-yl)-2-methylpropan-2-amine
CID 82143186
4-(1-ethylbenzimidazol-5-yl)-1,3-thiazol-2-amine
CID 82497594
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride
CID 2870539
4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
CID 82025072
(2E)-6-(2-amino-1,3-thiazol-4-yl)-4-methyl-2-[(4-methylphenyl)methylidene]-1,4-benzoxazin-3-one
CID 28863158
(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-piperidin-2-ylmethanol
CID 82340294

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (CID 82354834) is 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is CCN1CC(C)(C)Oc2ccc(-c3csc(N)n3)cc21.
What is the InChIKey of 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is BUIPIIQTCMRTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-18-9-15(2,3)19-13-6-5-10(7-12(13)18)11-8-20-14(16)17-11/h5-8H,4,9H2,1-3H3,(H2,16,17).
What are the key properties of 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2,2-dimethyl-3H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82354834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).