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

C15H26N2OS — CID 106352421

IUPAC4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(NC2CCOC2C2CC2)=N1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)12-7-9-19-14(17-12)16-11-6-8-18-13(11)10-4-5-10/h10-13H,4-9H2,1-3H3,(H,16,17)
InChIKeyADWGECXOCAYREP-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.05
Rot. Bonds2

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

4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106352421) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106352421
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(C)(C)C1CCSC(NC2CCOC2C2CC2)=N1
InChIInChI=1S/C15H26N2OS/c1-15(2,3)12-7-9-19-14(17-12)16-11-6-8-18-13(11)10-4-5-10/h10-13H,4-9H2,1-3H3,(H,16,17)
InChIKeyADWGECXOCAYREP-UHFFFAOYSA-N
XLogP3.05
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-(2-methyloxan-4-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177342
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351280
4-tert-butyl-N-(4,4-dimethylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351865
4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351080
N-(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)morpholin-4-amine
CID 114177287
4-tert-butyl-N-(3-ethoxycyclobutyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352426
4-tert-butyl-N-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352205
2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-N-methylpropanamide
CID 114177179
4-tert-butyl-N-(2,4,6-trimethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351110
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
4-tert-butyl-N-(4,4,4-trifluorobutan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352463
4-tert-butyl-N-(2-fluorophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177130

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106352421) is 4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(C)(C)C1CCSC(NC2CCOC2C2CC2)=N1.
What is the InChIKey of 4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is ADWGECXOCAYREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-15(2,3)12-7-9-19-14(17-12)16-11-6-8-18-13(11)10-4-5-10/h10-13H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 282.45 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-cyclopropyloxolan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106352421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).