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

C12H13N3OS — CID 82025072

IUPAC4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCC1CNc2cc(-c3csc(N)n3)ccc2O1
InChIInChI=1S/C12H13N3OS/c1-7-5-14-9-4-8(2-3-11(9)16-7)10-6-17-12(13)15-10/h2-4,6-7,14H,5H2,1H3,(H2,13,15)
InChIKeyDUXUSBFIFAMLPO-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.59
Rot. Bonds1

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

4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (PubChem CID 82025072) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
PubChem CID82025072
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCC1CNc2cc(-c3csc(N)n3)ccc2O1
InChIInChI=1S/C12H13N3OS/c1-7-5-14-9-4-8(2-3-11(9)16-7)10-6-17-12(13)15-10/h2-4,6-7,14H,5H2,1H3,(H2,13,15)
InChIKeyDUXUSBFIFAMLPO-UHFFFAOYSA-N
XLogP2.59
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (CID 82025072) is 4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is CC1CNc2cc(-c3csc(N)n3)ccc2O1.
What is the InChIKey of 4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is DUXUSBFIFAMLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-5-14-9-4-8(2-3-11(9)16-7)10-6-17-12(13)15-10/h2-4,6-7,14H,5H2,1H3,(H2,13,15).
What are the key properties of 4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 247.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82025072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).