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

C15H19N3OS — CID 82354876

IUPAC5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2c(c1)NCC(C(C)C)O2
InChIInChI=1S/C15H19N3OS/c1-8(2)13-7-17-11-6-10(4-5-12(11)19-13)14-9(3)20-15(16)18-14/h4-6,8,13,17H,7H2,1-3H3,(H2,16,18)
InChIKeyPIWVTXICVIXBMX-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.53
Rot. Bonds2

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

5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (PubChem CID 82354876) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
PubChem CID82354876
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2c(c1)NCC(C(C)C)O2
InChIInChI=1S/C15H19N3OS/c1-8(2)13-7-17-11-6-10(4-5-12(11)19-13)14-9(3)20-15(16)18-14/h4-6,8,13,17H,7H2,1-3H3,(H2,16,18)
InChIKeyPIWVTXICVIXBMX-UHFFFAOYSA-N
XLogP3.53
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine (CID 82354876) is 5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1ccc2c(c1)NCC(C(C)C)O2.
What is the InChIKey of 5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is PIWVTXICVIXBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-8(2)13-7-17-11-6-10(4-5-12(11)19-13)14-9(3)20-15(16)18-14/h4-6,8,13,17H,7H2,1-3H3,(H2,16,18).
What are the key properties of 5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine?
5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82354876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).