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

C12H16N2S — CID 2363238

IUPACN-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1ccc(CCNC2=NCCCS2)cc1
InChIInChI=1S/C12H16N2S/c1-2-5-11(6-3-1)7-9-14-12-13-8-4-10-15-12/h1-3,5-6H,4,7-10H2,(H,13,14)
InChIKeyYCRNQRBHURSBNE-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.31
Rot. Bonds3

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

N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 2363238) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID2363238
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESc1ccc(CCNC2=NCCCS2)cc1
InChIInChI=1S/C12H16N2S/c1-2-5-11(6-3-1)7-9-14-12-13-8-4-10-15-12/h1-3,5-6H,4,7-10H2,(H,13,14)
InChIKeyYCRNQRBHURSBNE-UHFFFAOYSA-N
XLogP2.31
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 2363238) is N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is c1ccc(CCNC2=NCCCS2)cc1.
What is the InChIKey of N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is YCRNQRBHURSBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-5-11(6-3-1)7-9-14-12-13-8-4-10-15-12/h1-3,5-6H,4,7-10H2,(H,13,14).
What are the key properties of N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 220.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 2363238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).