4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine

C17H25FN2S — CID 106351774

IUPAC4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(Cc1ccc(F)cc1)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C17H25FN2S/c1-12(11-13-5-7-14(18)8-6-13)19-16-20-15(9-10-21-16)17(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,19,20)
InChIKeyDCXKTVMMBXGDRI-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.25
Rot. Bonds3

About 4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351774) has the molecular formula C17H25FN2S and a molecular weight of 308.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351774
Molecular FormulaC17H25FN2S
Molecular Weight308.47 g/mol
Exact Mass308.17
IUPAC Name4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(Cc1ccc(F)cc1)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C17H25FN2S/c1-12(11-13-5-7-14(18)8-6-13)19-16-20-15(9-10-21-16)17(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,19,20)
InChIKeyDCXKTVMMBXGDRI-UHFFFAOYSA-N
XLogP4.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351774) is 4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(Cc1ccc(F)cc1)NC1=NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is DCXKTVMMBXGDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2S/c1-12(11-13-5-7-14(18)8-6-13)19-16-20-15(9-10-21-16)17(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,19,20).
What are the key properties of 4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 308.47 g/mol, XLogP of 4.25, 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-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).