6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

C14H10FN5O3S — CID 53161938

IUPAC6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1nsc2c(=O)n(CC(=O)Nc3ccccc3F)cnc12
InChIInChI=1S/C14H10FN5O3S/c15-7-3-1-2-4-8(7)18-9(21)5-20-6-17-10-11(13(16)22)19-24-12(10)14(20)23/h1-4,6H,5H2,(H2,16,22)(H,18,21)
InChIKeySQJBGOXVZBZHHQ-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.73
Rot. Bonds4

About 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide (PubChem CID 53161938) has the molecular formula C14H10FN5O3S and a molecular weight of 347.33 g/mol. Its IUPAC name is 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
PubChem CID53161938
Molecular FormulaC14H10FN5O3S
Molecular Weight347.33 g/mol
Exact Mass347.05
IUPAC Name6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
SMILESNC(=O)c1nsc2c(=O)n(CC(=O)Nc3ccccc3F)cnc12
InChIInChI=1S/C14H10FN5O3S/c15-7-3-1-2-4-8(7)18-9(21)5-20-6-17-10-11(13(16)22)19-24-12(10)14(20)23/h1-4,6H,5H2,(H2,16,22)(H,18,21)
InChIKeySQJBGOXVZBZHHQ-UHFFFAOYSA-N
XLogP0.73
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841598
6-[2-(4-methoxyanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
CID 53161935
N-(2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841644
2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2-fluorophenyl)acetamide
CID 7111072
N-(4-bromo-2-fluorophenyl)-2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841770
2-[3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46396599
N-(2-fluorophenyl)-2-[3-(4-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20869541
3-[2-(2-fluoroanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409206
N-(2-fluorophenyl)-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422916
N-(4-fluorophenyl)-2-[3-(4-fluorophenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50841527
N-(5-chloro-2-methylphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50841671
N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115963996

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide?
The IUPAC name of 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide (CID 53161938) is 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide is NC(=O)c1nsc2c(=O)n(CC(=O)Nc3ccccc3F)cnc12.
What is the InChIKey of 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide?
The InChIKey is SQJBGOXVZBZHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O3S/c15-7-3-1-2-4-8(7)18-9(21)5-20-6-17-10-11(13(16)22)19-24-12(10)14(20)23/h1-4,6H,5H2,(H2,16,22)(H,18,21).
What are the key properties of 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide?
6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 53161938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).