4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine

C13H19N3S — CID 65036001

IUPAC4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine
SMILESCC1CN=C(Nc2ccc(N(C)C)cc2)SC1
InChIInChI=1S/C13H19N3S/c1-10-8-14-13(17-9-10)15-11-4-6-12(7-5-11)16(2)3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyAFINMSUCHXZWHD-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.90
Rot. Bonds2

About 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine (PubChem CID 65036001) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine
PubChem CID65036001
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine
SMILESCC1CN=C(Nc2ccc(N(C)C)cc2)SC1
InChIInChI=1S/C13H19N3S/c1-10-8-14-13(17-9-10)15-11-4-6-12(7-5-11)16(2)3/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyAFINMSUCHXZWHD-UHFFFAOYSA-N
XLogP2.90
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine (CID 65036001) is 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine is CC1CN=C(Nc2ccc(N(C)C)cc2)SC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine?
The InChIKey is AFINMSUCHXZWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10-8-14-13(17-9-10)15-11-4-6-12(7-5-11)16(2)3/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine has a molecular weight of 249.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 65036001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).