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

C14H21N4O2S+ — CID 8767071

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)16-11(19)9-17(4)8-10-7-12(20)18-5-6-21-13(18)15-10/h5-7H,8-9H2,1-4H3,(H,16,19)/p+1
InChIKeyLAVGBRRHDWGQDO-UHFFFAOYSA-O
MW309.42 g/mol
LogP-0.31
Rot. Bonds4

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

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 8767071) has the molecular formula C14H21N4O2S+ and a molecular weight of 309.42 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
PubChem CID8767071
Molecular FormulaC14H21N4O2S+
Molecular Weight309.42 g/mol
Exact Mass309.14
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESC[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C14H20N4O2S/c1-14(2,3)16-11(19)9-17(4)8-10-7-12(20)18-5-6-21-13(18)15-10/h5-7H,8-9H2,1-4H3,(H,16,19)/p+1
InChIKeyLAVGBRRHDWGQDO-UHFFFAOYSA-O
XLogP-0.31
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

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CID 16933412
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CID 18166949
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CID 53352301
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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 8767071) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is C[NH+](CC(=O)NC(C)(C)C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The InChIKey is LAVGBRRHDWGQDO-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H20N4O2S/c1-14(2,3)16-11(19)9-17(4)8-10-7-12(20)18-5-6-21-13(18)15-10/h5-7H,8-9H2,1-4H3,(H,16,19)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 309.42 g/mol, XLogP of -0.31, 4 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]-methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 8767071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).