(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate

C11H12N4OS2 — CID 8776263

IUPAC(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate
SMILESC=CC/N=C(\N)SCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H12N4OS2/c1-2-3-13-10(12)18-7-8-6-9(16)15-4-5-17-11(15)14-8/h2,4-6H,1,3,7H2,(H2,12,13)
InChIKeyIZQIJANSOUBQHD-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.49
Rot. Bonds4

About (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate

(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate (PubChem CID 8776263) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate.

Molecular Properties

Compound Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate
PubChem CID8776263
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate
SMILESC=CC/N=C(\N)SCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C11H12N4OS2/c1-2-3-13-10(12)18-7-8-6-9(16)15-4-5-17-11(15)14-8/h2,4-6H,1,3,7H2,(H2,12,13)
InChIKeyIZQIJANSOUBQHD-UHFFFAOYSA-N
XLogP1.49
TPSA72.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-Methyl-5H-(1,3)thiazolo(3,2-a)pyrimidin-5-one
CID 597065
2-(4-Methyl-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetamide
CID 974720
7-(piperazin-1-ylmethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 7131503
2-[({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]acetic acid
CID 17604703
7-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6468090
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N,N-diethylcarbamodithioate
CID 8891253
2,7-Dimethyl-5h-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 22434125
5-methyl-7H-[1,2-a]pyrimidin-7-one
CID 54613743
7-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135534238
6-Methyl-2-[({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-7-YL}methyl)sulfanyl]-3,4-dihydropyrimidin-4-one
CID 135680907
8-methyl-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 19001813
7-(Sulfanylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24689332

Frequently Asked Questions

What is the IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate?
The IUPAC name of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate (CID 8776263) is (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate.
What is the SMILES notation for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate?
The canonical SMILES for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate is C=CC/N=C(\N)SCc1cc(=O)n2ccsc2n1.
What is the InChIKey of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate?
The InChIKey is IZQIJANSOUBQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-2-3-13-10(12)18-7-8-6-9(16)15-4-5-17-11(15)14-8/h2,4-6H,1,3,7H2,(H2,12,13).
What are the key properties of (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate?
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate has a molecular weight of 280.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl N'-prop-2-enylcarbamimidothioate is sourced from PubChem (CID 8776263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).