4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine

C17H26N2S — CID 106351378

IUPAC4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCc1ccc(NC2=NC(C(C)(C)C)CCS2)cc1
InChIInChI=1S/C17H26N2S/c1-5-6-13-7-9-14(10-8-13)18-16-19-15(11-12-20-16)17(2,3)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyGOJZRYKZMYHLIZ-UHFFFAOYSA-N
MW290.48 g/mol
LogP4.96
Rot. Bonds3

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

4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351378) has the molecular formula C17H26N2S and a molecular weight of 290.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351378
Molecular FormulaC17H26N2S
Molecular Weight290.48 g/mol
Exact Mass290.18
IUPAC Name4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCCCc1ccc(NC2=NC(C(C)(C)C)CCS2)cc1
InChIInChI=1S/C17H26N2S/c1-5-6-13-7-9-14(10-8-13)18-16-19-15(11-12-20-16)17(2,3)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,18,19)
InChIKeyGOJZRYKZMYHLIZ-UHFFFAOYSA-N
XLogP4.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83188198
4-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 106351284
4-tert-butyl-N-(1-ethylpyrazol-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177162
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177130
N-(4-butylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440181
(4R)-N-(4-butylphenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2345416
4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351774
4-tert-butyl-N-(5-chloro-2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351382
4-tert-butyl-N-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351323
4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351080
N-(2-bromo-3-chlorophenyl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352291

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351378) is 4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CCCc1ccc(NC2=NC(C(C)(C)C)CCS2)cc1.
What is the InChIKey of 4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is GOJZRYKZMYHLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2S/c1-5-6-13-7-9-14(10-8-13)18-16-19-15(11-12-20-16)17(2,3)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 290.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-propylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).