N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C12H16N2OS — CID 2342120

IUPACN-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(C)cc1NC1=NCCCS1
InChIInChI=1S/C12H16N2OS/c1-9-4-5-11(15-2)10(8-9)14-12-13-6-3-7-16-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyLQSRHZWIYCSFAJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.91
Rot. Bonds2

About N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2342120) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2342120
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1ccc(C)cc1NC1=NCCCS1
InChIInChI=1S/C12H16N2OS/c1-9-4-5-11(15-2)10(8-9)14-12-13-6-3-7-16-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyLQSRHZWIYCSFAJ-UHFFFAOYSA-N
XLogP2.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2342120) is N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1ccc(C)cc1NC1=NCCCS1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is LQSRHZWIYCSFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-4-5-11(15-2)10(8-9)14-12-13-6-3-7-16-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2342120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).