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

C11H14N2S — CID 2731145

IUPACN-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cccc(NC2=NCCCS2)c1
InChIInChI=1S/C11H14N2S/c1-9-4-2-5-10(8-9)13-11-12-6-3-7-14-11/h2,4-5,8H,3,6-7H2,1H3,(H,12,13)
InChIKeySPFMREZOPJBBQA-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.90
Rot. Bonds1

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

N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2731145) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2731145
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCc1cccc(NC2=NCCCS2)c1
InChIInChI=1S/C11H14N2S/c1-9-4-2-5-10(8-9)13-11-12-6-3-7-14-11/h2,4-5,8H,3,6-7H2,1H3,(H,12,13)
InChIKeySPFMREZOPJBBQA-UHFFFAOYSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2731145) is N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is Cc1cccc(NC2=NCCCS2)c1.
What is the InChIKey of N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is SPFMREZOPJBBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-9-4-2-5-10(8-9)13-11-12-6-3-7-14-11/h2,4-5,8H,3,6-7H2,1H3,(H,12,13).
What are the key properties of N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 206.31 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2731145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).