4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide

C14H11FN4O3S — CID 16763203

IUPAC4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide
SMILESCOCc1nn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc2s1
InChIInChI=1S/C14H11FN4O3S/c1-22-7-11-18-19-13(21)10(6-16-14(19)23-11)17-12(20)8-2-4-9(15)5-3-8/h2-6H,7H2,1H3,(H,17,20)
InChIKeyHAFMLAGJZDQNIP-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.69
Rot. Bonds4

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

4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide (PubChem CID 16763203) has the molecular formula C14H11FN4O3S and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide
PubChem CID16763203
Molecular FormulaC14H11FN4O3S
Molecular Weight334.33 g/mol
Exact Mass334.05
IUPAC Name4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide
SMILESCOCc1nn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc2s1
InChIInChI=1S/C14H11FN4O3S/c1-22-7-11-18-19-13(21)10(6-16-14(19)23-11)17-12(20)8-2-4-9(15)5-3-8/h2-6H,7H2,1H3,(H,17,20)
InChIKeyHAFMLAGJZDQNIP-UHFFFAOYSA-N
XLogP1.69
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 3971209
4-fluoro-N-(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2239640
4-methyl-N-(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 2233157
4-fluoro-N-(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 2380799
N-(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-2-chlorobenzamide
CID 18891516
2-chloro-N-(2-isopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 18891564
4-fluoro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 801344
{2-Methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidin-7-YL}methyl 2-[(4-fluorophenyl)formamido]acetate
CID 16026659
2-fluoro-N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
CID 16933429
4-fluoro-N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
CID 16933431
2,6-difluoro-N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933432
2-chloro-N-[2-(methoxymethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide
CID 18891499

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide (CID 16763203) is 4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide is COCc1nn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc2s1.
What is the InChIKey of 4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is HAFMLAGJZDQNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3S/c1-22-7-11-18-19-13(21)10(6-16-14(19)23-11)17-12(20)8-2-4-9(15)5-3-8/h2-6H,7H2,1H3,(H,17,20).
What are the key properties of 4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide?
4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 334.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(methoxymethyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 16763203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).