[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

C15H23N4O2S+ — CID 8795366

IUPAC[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H22N4O2S/c1-5-18(10-12(20)17-15(2,3)4)9-11-8-13(21)19-6-7-22-14(19)16-11/h6-8H,5,9-10H2,1-4H3,(H,17,20)/p+1
InChIKeyMAJKAALQHKNEJI-UHFFFAOYSA-O
MW323.44 g/mol
LogP0.08
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 8795366) has the molecular formula C15H23N4O2S+ and a molecular weight of 323.44 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
PubChem CID8795366
Molecular FormulaC15H23N4O2S+
Molecular Weight323.44 g/mol
Exact Mass323.15
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H22N4O2S/c1-5-18(10-12(20)17-15(2,3)4)9-11-8-13(21)19-6-7-22-14(19)16-11/h6-8H,5,9-10H2,1-4H3,(H,17,20)/p+1
InChIKeyMAJKAALQHKNEJI-UHFFFAOYSA-O
XLogP0.08
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 8795366) is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is CC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The InChIKey is MAJKAALQHKNEJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N4O2S/c1-5-18(10-12(20)17-15(2,3)4)9-11-8-13(21)19-6-7-22-14(19)16-11/h6-8H,5,9-10H2,1-4H3,(H,17,20)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 323.44 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 8795366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).