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

C12H22N2S — CID 106352205

IUPAC4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1(NC2=NC(C(C)(C)C)CCS2)CC1
InChIInChI=1S/C12H22N2S/c1-11(2,3)9-5-8-15-10(13-9)14-12(4)6-7-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyCWXGHQMCFDPJIT-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.04
Rot. Bonds1

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

4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352205) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352205
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC1(NC2=NC(C(C)(C)C)CCS2)CC1
InChIInChI=1S/C12H22N2S/c1-11(2,3)9-5-8-15-10(13-9)14-12(4)6-7-12/h9H,5-8H2,1-4H3,(H,13,14)
InChIKeyCWXGHQMCFDPJIT-UHFFFAOYSA-N
XLogP3.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.04
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-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352205) is 4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC1(NC2=NC(C(C)(C)C)CCS2)CC1.
What is the InChIKey of 4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is CWXGHQMCFDPJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-11(2,3)9-5-8-15-10(13-9)14-12(4)6-7-12/h9H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.04, 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-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).