4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

C11H22N2S — CID 106351080

IUPAC4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C11H22N2S/c1-8(2)12-10-13-9(6-7-14-10)11(3,4)5/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyYMZBCJXCXXBWPZ-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.89
Rot. Bonds1

About 4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine

4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351080) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351080
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C11H22N2S/c1-8(2)12-10-13-9(6-7-14-10)11(3,4)5/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyYMZBCJXCXXBWPZ-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.89
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-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351080) is 4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)NC1=NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is YMZBCJXCXXBWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-8(2)12-10-13-9(6-7-14-10)11(3,4)5/h8-9H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 214.38 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).