methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium

C13H14N3OS2+ — CID 9054690

IUPACmethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium
SMILESC[NH+](Cc1ccsc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H13N3OS2/c1-15(7-10-2-4-18-9-10)8-11-6-12(17)16-3-5-19-13(16)14-11/h2-6,9H,7-8H2,1H3/p+1
InChIKeyUCHJTKBUQSPYJN-UHFFFAOYSA-O
MW292.41 g/mol
LogP1.03
Rot. Bonds4

About methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium

methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium (PubChem CID 9054690) has the molecular formula C13H14N3OS2+ and a molecular weight of 292.41 g/mol. Its IUPAC name is methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium.

Molecular Properties

Compound Namemethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium
PubChem CID9054690
Molecular FormulaC13H14N3OS2+
Molecular Weight292.41 g/mol
Exact Mass292.06
IUPAC Namemethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium
SMILESC[NH+](Cc1ccsc1)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H13N3OS2/c1-15(7-10-2-4-18-9-10)8-11-6-12(17)16-3-5-19-13(16)14-11/h2-6,9H,7-8H2,1H3/p+1
InChIKeyUCHJTKBUQSPYJN-UHFFFAOYSA-O
XLogP1.03
TPSA38.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium?
The IUPAC name of methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium (CID 9054690) is methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium.
What is the SMILES notation for methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium?
The canonical SMILES for methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium is C[NH+](Cc1ccsc1)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium?
The InChIKey is UCHJTKBUQSPYJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H13N3OS2/c1-15(7-10-2-4-18-9-10)8-11-6-12(17)16-3-5-19-13(16)14-11/h2-6,9H,7-8H2,1H3/p+1.
What are the key properties of methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium?
methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium has a molecular weight of 292.41 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]-(thiophen-3-ylmethyl)azanium is sourced from PubChem (CID 9054690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).