2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

C14H10IN3O2S — CID 16933497

IUPAC2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccccc1I
InChIInChI=1S/C14H10IN3O2S/c1-8-11(13(20)18-6-7-21-14(18)16-8)17-12(19)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,19)
InChIKeyLYHUBITYGAAFLL-UHFFFAOYSA-N
MW411.22 g/mol
LogP2.92
Rot. Bonds2

About 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 16933497) has the molecular formula C14H10IN3O2S and a molecular weight of 411.22 g/mol. Its IUPAC name is 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID16933497
Molecular FormulaC14H10IN3O2S
Molecular Weight411.22 g/mol
Exact Mass410.95
IUPAC Name2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccccc1I
InChIInChI=1S/C14H10IN3O2S/c1-8-11(13(20)18-6-7-21-14(18)16-8)17-12(19)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,19)
InChIKeyLYHUBITYGAAFLL-UHFFFAOYSA-N
XLogP2.92
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 16933497) is 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is Cc1nc2sccn2c(=O)c1NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is LYHUBITYGAAFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O2S/c1-8-11(13(20)18-6-7-21-14(18)16-8)17-12(19)9-4-2-3-5-10(9)15/h2-7H,1H3,(H,17,19).
What are the key properties of 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 411.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 16933497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).