8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine

C13H13N5OS — CID 171486799

IUPAC8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine
SMILESCn1nccc1N1CCOc2cc3nc(N)sc3cc21
InChIInChI=1S/C13H13N5OS/c1-17-12(2-3-15-17)18-4-5-19-10-6-8-11(7-9(10)18)20-13(14)16-8/h2-3,6-7H,4-5H2,1H3,(H2,14,16)
InChIKeyLMNSRXJTQZBBJA-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.14
Rot. Bonds1

About 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine

8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine (PubChem CID 171486799) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine.

Molecular Properties

Compound Name8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine
PubChem CID171486799
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine
SMILESCn1nccc1N1CCOc2cc3nc(N)sc3cc21
InChIInChI=1S/C13H13N5OS/c1-17-12(2-3-15-17)18-4-5-19-10-6-8-11(7-9(10)18)20-13(14)16-8/h2-3,6-7H,4-5H2,1H3,(H2,14,16)
InChIKeyLMNSRXJTQZBBJA-UHFFFAOYSA-N
XLogP2.14
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine?
The IUPAC name of 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine (CID 171486799) is 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine.
What is the SMILES notation for 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine?
The canonical SMILES for 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine is Cn1nccc1N1CCOc2cc3nc(N)sc3cc21.
What is the InChIKey of 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine?
The InChIKey is LMNSRXJTQZBBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-17-12(2-3-15-17)18-4-5-19-10-6-8-11(7-9(10)18)20-13(14)16-8/h2-3,6-7H,4-5H2,1H3,(H2,14,16).
What are the key properties of 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine?
8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpyrazol-3-yl)-6,7-dihydro-[1,3]thiazolo[5,4-g][1,4]benzoxazin-2-amine is sourced from PubChem (CID 171486799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).