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

C11H14N2OS — CID 3228495

IUPACN-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1cccc(NC2=NCCCS2)c1
InChIInChI=1S/C11H14N2OS/c1-14-10-5-2-4-9(8-10)13-11-12-6-3-7-15-11/h2,4-5,8H,3,6-7H2,1H3,(H,12,13)
InChIKeyTVPCYEHKVSYVIZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.60
Rot. Bonds2

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

N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 3228495) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID3228495
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOc1cccc(NC2=NCCCS2)c1
InChIInChI=1S/C11H14N2OS/c1-14-10-5-2-4-9(8-10)13-11-12-6-3-7-15-11/h2,4-5,8H,3,6-7H2,1H3,(H,12,13)
InChIKeyTVPCYEHKVSYVIZ-UHFFFAOYSA-N
XLogP2.60
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 3228495) is N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is COc1cccc(NC2=NCCCS2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is TVPCYEHKVSYVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-14-10-5-2-4-9(8-10)13-11-12-6-3-7-15-11/h2,4-5,8H,3,6-7H2,1H3,(H,12,13).
What are the key properties of N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 222.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 3228495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).