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

C15H19N3OS — CID 82025258

IUPAC4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCCCN1CC(C)Oc2ccc(-c3csc(N)n3)cc21
InChIInChI=1S/C15H19N3OS/c1-3-6-18-8-10(2)19-14-5-4-11(7-13(14)18)12-9-20-15(16)17-12/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,16,17)
InChIKeyBVDJGJAIXZBAFY-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.39
Rot. Bonds3

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

4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (PubChem CID 82025258) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
PubChem CID82025258
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCCCN1CC(C)Oc2ccc(-c3csc(N)n3)cc21
InChIInChI=1S/C15H19N3OS/c1-3-6-18-8-10(2)19-14-5-4-11(7-13(14)18)12-9-20-15(16)17-12/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,16,17)
InChIKeyBVDJGJAIXZBAFY-UHFFFAOYSA-N
XLogP3.39
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (CID 82025258) is 4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is CCCN1CC(C)Oc2ccc(-c3csc(N)n3)cc21.
What is the InChIKey of 4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is BVDJGJAIXZBAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-6-18-8-10(2)19-14-5-4-11(7-13(14)18)12-9-20-15(16)17-12/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,16,17).
What are the key properties of 4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82025258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).