6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C7H5IN2OS — CID 66753571

IUPAC6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1I
InChIInChI=1S/C7H5IN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3
InChIKeySDVBQDFJYGFALT-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.67
Rot. Bonds

About 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66753571) has the molecular formula C7H5IN2OS and a molecular weight of 292.10 g/mol. Its IUPAC name is 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66753571
Molecular FormulaC7H5IN2OS
Molecular Weight292.10 g/mol
Exact Mass291.92
IUPAC Name6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1I
InChIInChI=1S/C7H5IN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3
InChIKeySDVBQDFJYGFALT-UHFFFAOYSA-N
XLogP1.67
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
CID 142258463
2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933497
7,9-dimethyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 19826349
6-methyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 14100430
ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate
CID 16933416
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)cyclopentanecarboxamide
CID 16933450
N-cyclopentyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
CID 23004527
7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753265
4-bromo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933440
6-(4-butoxyphenyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91455885
5-(2-bromoethyl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 67369478
6-methyl-7-(2-phenylethenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 54414204

Frequently Asked Questions

What is the IUPAC name of 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66753571) is 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1I.
What is the InChIKey of 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SDVBQDFJYGFALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2OS/c1-4-5(8)6(11)10-2-3-12-7(10)9-4/h2-3H,1H3.
What are the key properties of 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 292.10 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66753571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).