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

C15H29N3S — CID 106351496

IUPAC4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(CN1CCCC1)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C15H29N3S/c1-12(11-18-8-5-6-9-18)16-14-17-13(7-10-19-14)15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyYYYLAYODNASIIE-UHFFFAOYSA-N
MW283.48 g/mol
LogP2.97
Rot. Bonds3

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

4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (PubChem CID 106351496) has the molecular formula C15H29N3S and a molecular weight of 283.48 g/mol. Its IUPAC name is 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
PubChem CID106351496
Molecular FormulaC15H29N3S
Molecular Weight283.48 g/mol
Exact Mass283.21
IUPAC Name4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
SMILESCC(CN1CCCC1)NC1=NC(C(C)(C)C)CCS1
InChIInChI=1S/C15H29N3S/c1-12(11-18-8-5-6-9-18)16-14-17-13(7-10-19-14)15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyYYYLAYODNASIIE-UHFFFAOYSA-N
XLogP2.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine with MolForge

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Related Compounds

4-tert-butyl-N-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351080
4-tert-butyl-N-heptan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351476
4-tert-butyl-N-(1-ethylsulfanylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352227
4-tert-butyl-N-[1-(4-fluorophenyl)propan-2-yl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106351774
ethyl 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
CID 114177193
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-(1-methylcyclopropyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352205
4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 61223216
6-chloro-4-N-methyl-2-N-(1-piperidin-1-ylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80801538
5-cyclopropyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 55171605
4-tert-butyl-N-(2,6-dibromophenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106352323
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 62133475

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The IUPAC name of 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CID 106351496) is 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine.
What is the SMILES notation for 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The canonical SMILES for 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is CC(CN1CCCC1)NC1=NC(C(C)(C)C)CCS1.
What is the InChIKey of 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
The InChIKey is YYYLAYODNASIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3S/c1-12(11-18-8-5-6-9-18)16-14-17-13(7-10-19-14)15(2,3)4/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine?
4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine has a molecular weight of 283.48 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine is sourced from PubChem (CID 106351496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).