4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine

C13H14N2OS — CID 42599747

IUPAC4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine
SMILESCc1cnc(CN2CCOc3ccccc32)s1
InChIInChI=1S/C13H14N2OS/c1-10-8-14-13(17-10)9-15-6-7-16-12-5-3-2-4-11(12)15/h2-5,8H,6-7,9H2,1H3
InChIKeyMXGWWAHQYRANHT-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.85
Rot. Bonds2

About 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine

4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine (PubChem CID 42599747) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine
PubChem CID42599747
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine
SMILESCc1cnc(CN2CCOc3ccccc32)s1
InChIInChI=1S/C13H14N2OS/c1-10-8-14-13(17-10)9-15-6-7-16-12-5-3-2-4-11(12)15/h2-5,8H,6-7,9H2,1H3
InChIKeyMXGWWAHQYRANHT-UHFFFAOYSA-N
XLogP2.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine (CID 42599747) is 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine is Cc1cnc(CN2CCOc3ccccc32)s1.
What is the InChIKey of 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
The InChIKey is MXGWWAHQYRANHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-8-14-13(17-10)9-15-6-7-16-12-5-3-2-4-11(12)15/h2-5,8H,6-7,9H2,1H3.
What are the key properties of 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine has a molecular weight of 246.34 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 42599747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).