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

C14H10FN3O2S — CID 16933431

IUPAC4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O2S/c1-8-11(13(20)18-6-7-21-14(18)16-8)17-12(19)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,19)
InChIKeyNHNCREVCDYFSAN-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.46
Rot. Bonds2

About 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide

4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (PubChem CID 16933431) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
PubChem CID16933431
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
SMILESCc1nc2sccn2c(=O)c1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O2S/c1-8-11(13(20)18-6-7-21-14(18)16-8)17-12(19)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,19)
InChIKeyNHNCREVCDYFSAN-UHFFFAOYSA-N
XLogP2.46
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide (CID 16933431) is 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
The InChIKey is NHNCREVCDYFSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c1-8-11(13(20)18-6-7-21-14(18)16-8)17-12(19)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,17,19).
What are the key properties of 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide?
4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide has a molecular weight of 303.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 16933431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).