4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride

C13H17ClN2S — CID 3055522

IUPAC4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride
SMILESCC1=CC(C)(C)N=C(Nc2ccccc2)S1.Cl
InChIInChI=1S/C13H16N2S.ClH/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11;/h4-9H,1-3H3,(H,14,15);1H
InChIKeyLQZRCRSIPSWWKO-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.31
Rot. Bonds1

About 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride

4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride (PubChem CID 3055522) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride.

Molecular Properties

Compound Name4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride
PubChem CID3055522
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride
SMILESCC1=CC(C)(C)N=C(Nc2ccccc2)S1.Cl
InChIInChI=1S/C13H16N2S.ClH/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11;/h4-9H,1-3H3,(H,14,15);1H
InChIKeyLQZRCRSIPSWWKO-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride?
The IUPAC name of 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride (CID 3055522) is 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride.
What is the SMILES notation for 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride?
The canonical SMILES for 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride is CC1=CC(C)(C)N=C(Nc2ccccc2)S1.Cl.
What is the InChIKey of 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride?
The InChIKey is LQZRCRSIPSWWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S.ClH/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11;/h4-9H,1-3H3,(H,14,15);1H.
What are the key properties of 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride?
4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-N-phenyl-1,3-thiazin-2-amine;hydrochloride is sourced from PubChem (CID 3055522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).