N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine

C13H17ClN2S — CID 71384249

IUPACN-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1CC(C)(C)N=C(Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C13H17ClN2S/c1-9-8-13(2,3)16-12(17-9)15-11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyNJWWXBJKCHYRQN-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.41
Rot. Bonds1

About N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine

N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine (PubChem CID 71384249) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine
PubChem CID71384249
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC NameN-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine
SMILESCC1CC(C)(C)N=C(Nc2ccc(Cl)cc2)S1
InChIInChI=1S/C13H17ClN2S/c1-9-8-13(2,3)16-12(17-9)15-11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyNJWWXBJKCHYRQN-UHFFFAOYSA-N
XLogP4.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine (CID 71384249) is N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine is CC1CC(C)(C)N=C(Nc2ccc(Cl)cc2)S1.
What is the InChIKey of N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is NJWWXBJKCHYRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-9-8-13(2,3)16-12(17-9)15-11-6-4-10(14)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16).
What are the key properties of N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine?
N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 268.81 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4,4,6-trimethyl-5,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 71384249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).