N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C16H24N2OS — CID 106352278

IUPACN-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOCCc1ccccc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)14-9-11-20-16(17-14)18-15-7-5-4-6-13(15)8-10-19-3/h4-7,12,14H,8-11H2,1-3H3,(H,17,18)
InChIKeyLXEAFFGQJODCQS-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352278) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352278
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCOCCc1ccccc1NC1=NC(C(C)C)CCS1
InChIInChI=1S/C16H24N2OS/c1-12(2)14-9-11-20-16(17-14)18-15-7-5-4-6-13(15)8-10-19-3/h4-7,12,14H,8-11H2,1-3H3,(H,17,18)
InChIKeyLXEAFFGQJODCQS-UHFFFAOYSA-N
XLogP3.80
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352278) is N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is COCCc1ccccc1NC1=NC(C(C)C)CCS1.
What is the InChIKey of N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is LXEAFFGQJODCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12(2)14-9-11-20-16(17-14)18-15-7-5-4-6-13(15)8-10-19-3/h4-7,12,14H,8-11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 292.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)phenyl]-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).