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

C13H19N4O2S+ — CID 9289333

IUPACmethyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCCCNC(=O)C[NH+](C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-3-4-14-11(18)9-16(2)8-10-7-12(19)17-5-6-20-13(17)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,18)/p+1
InChIKeySKMBHTJQLCYNLT-UHFFFAOYSA-O
MW295.39 g/mol
LogP-0.70
Rot. Bonds6

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

methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (PubChem CID 9289333) has the molecular formula C13H19N4O2S+ and a molecular weight of 295.39 g/mol. Its IUPAC name is methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
PubChem CID9289333
Molecular FormulaC13H19N4O2S+
Molecular Weight295.39 g/mol
Exact Mass295.12
IUPAC Namemethyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium
SMILESCCCNC(=O)C[NH+](C)Cc1cc(=O)n2ccsc2n1
InChIInChI=1S/C13H18N4O2S/c1-3-4-14-11(18)9-16(2)8-10-7-12(19)17-5-6-20-13(17)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,18)/p+1
InChIKeySKMBHTJQLCYNLT-UHFFFAOYSA-O
XLogP-0.70
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-(Piperazin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 24761831
N,N-dimethyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]acetamide
CID 9465877
5,5-Dimethyl-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 2540410
7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)propionamide
CID 16933444
3,3-dimethyl-N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butanamide
CID 16933413
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)butyramide
CID 16933414
N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)cyclopropanecarboxamide
CID 16933418
N-(3,6-dimethyl-4-oxo-1-thia-3a,7-diaza-5-indenyl)propionamide
CID 16933547
2-(difluoromethyl)-N-ethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 153961683
7-[[3-Aminopropyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 167882868
2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-propan-2-ylacetamide
CID 9450944

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium (CID 9289333) is methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is CCCNC(=O)C[NH+](C)Cc1cc(=O)n2ccsc2n1.
What is the InChIKey of methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
The InChIKey is SKMBHTJQLCYNLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N4O2S/c1-3-4-14-11(18)9-16(2)8-10-7-12(19)17-5-6-20-13(17)15-10/h5-7H,3-4,8-9H2,1-2H3,(H,14,18)/p+1.
What are the key properties of methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium?
methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium has a molecular weight of 295.39 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(propylamino)ethyl]-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]azanium is sourced from PubChem (CID 9289333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).