5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine

C16H24N2S — CID 115361477

IUPAC5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC(C)c1ccc(CNC2=NCC(C)(C)CS2)cc1
InChIInChI=1S/C16H24N2S/c1-12(2)14-7-5-13(6-8-14)9-17-15-18-10-16(3,4)11-19-15/h5-8,12H,9-11H2,1-4H3,(H,17,18)
InChIKeyJYKVXAXAHCJLQK-UHFFFAOYSA-N
MW276.45 g/mol
LogP4.03
Rot. Bonds3

About 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine

5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (PubChem CID 115361477) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
PubChem CID115361477
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
SMILESCC(C)c1ccc(CNC2=NCC(C)(C)CS2)cc1
InChIInChI=1S/C16H24N2S/c1-12(2)14-7-5-13(6-8-14)9-17-15-18-10-16(3,4)11-19-15/h5-8,12H,9-11H2,1-4H3,(H,17,18)
InChIKeyJYKVXAXAHCJLQK-UHFFFAOYSA-N
XLogP4.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361492
1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine
CID 166326328
5,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 115361783
1,5,5-trimethyl-N-[(4-propan-2-ylphenyl)methyl]-4H-imidazol-2-amine;hydroiodide
CID 166326327
4-chloro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 11254350
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
3-[(dimethylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 43435749
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
5-methyl-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 63208033
4,6-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115355071

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The IUPAC name of 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine (CID 115361477) is 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine.
What is the SMILES notation for 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The canonical SMILES for 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is CC(C)c1ccc(CNC2=NCC(C)(C)CS2)cc1.
What is the InChIKey of 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
The InChIKey is JYKVXAXAHCJLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12(2)14-7-5-13(6-8-14)9-17-15-18-10-16(3,4)11-19-15/h5-8,12H,9-11H2,1-4H3,(H,17,18).
What are the key properties of 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine?
5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine has a molecular weight of 276.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-4,6-dihydro-1,3-thiazin-2-amine is sourced from PubChem (CID 115361477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).